Geometry & MOs

Info

ID:	412000
PubChem CID:	135084863
Reduced:	PH27C32 (1)
Stoich.:	AB27C32 (1)
Weight, g/mol:	852.335815
ΔH_f, kcal/mol:	102.05
Dipole, Da:	2.62
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[[4,5-bis(2,8-dimethylphenoxaphosphinin-10-yl)-9,9-dimethyl-7-[(3-methylimidazol-3-ium-1-yl)methyl]xanthen-2-yl]methyl]-3-methylimidazol-3-ium

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)C2=C(C3(C=C(P2C4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6)C)C

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)C2=C(C3(C=C(P2C4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):