Geometry & MOs

Info

ID:	381248
PubChem CID:	134971924
Reduced:	O2H28C31 (1)
Stoich.:	A2B28C31 (1)
Weight, g/mol:	888.32396
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	0.37
IP(EA), eV:	-8.33(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-methyl-5-[[(3R)-3-methyl-7-(pyrene-1-carbonyloxy)-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-7,8-dihydro-6H-phenanthren-2-yl] pyrene-1-carboxylate

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

C[C@@H]1CCC2=C(C1=C=C3[C@@H](CCC4=C3C5=C(C=C4)C=C(C=C5)O)C)C6=C(C=C2)C=C(C=C6)O

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

C[C@@H]1CCC2=C(C1=C=C3[C@@H](CCC4=C3C5=C(C=C4)C=C(C=C5)O)C)C6=C(C=C2)C=C(C=C6)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):