Geometry & MOs

Info

ID:	232204
PubChem CID:	87575704
Reduced:	OSH9C13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	425.154155
ΔH_f, kcal/mol:	23.85
Dipole, Da:	0.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.310415
Charge, e:	-1

Chem-info

IUPAC name:

[4-[4-(4-formylphenyl)-2,3-diphenylcyclopenta-2,4-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[O+]2)S

DOS

IR

Vibrations