Geometry & MOs

Info

ID:	383000
PubChem CID:	134974480
Reduced:	O2C8H11 (3)
Stoich.:	A2B8C11 (3)
Weight, g/mol:	420.251189
ΔH_f, kcal/mol:	-250.49
Dipole, Da:	3.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.773730
Charge, e:	0

Chem-info

IUPAC name:

[5,8-bis[ethoxy(hydroxy)methylidene]-1,3,3a,3b,4,6,6a,6b,7,9,9a,9b-dodecahydrocyclopenta[e]-as-indacen-2-ylidene]-ethoxymethanol

Drug info:

PubChemData

Smile

CCOC(=C1CC2C3CC(=C([O-])OCC)CC3C4CC(=C([O-])OCC)CC4C2C1)[O-]

DOS

IR

Vibrations