Geometry & MOs

Info

ID:	310370
PubChem CID:	126579334
Reduced:	PO2F4N6H15C19 (1)
Stoich.:	AB2C4D6E15F19 (1)
Weight, g/mol:	901.433822
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3E)-1-[(E)-2-[6-(diethylamino)-1-pentan-2-ylbenzo[cd]indol-1-ium-2-yl]ethenyl]-3-[(2E)-2-[6-(diethylamino)-1-pentan-2-ylbenzo[cd]indol-2-ylidene]ethylidene]inden-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=CC=C1)N2C(=O)N(N=N2)C)COC3=NN(C=C3)C4=C(C(=C(C(=C4F)P)F)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=CC=C1)N2C(=O)N(N=N2)C)COC3=NN(C=C3)C4=C(C(=C(C(=C4F)P)F)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):