Geometry & MOs

Info

ID:	383001
PubChem CID:	134974481
Reduced:	OC4H6 (6)
Stoich.:	AB4C6 (6)
Weight, g/mol:	920.07458
ΔH_f, kcal/mol:	-268.35
Dipole, Da:	2.39
IP(EA), eV:	-8.25(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triethyl 2,5,8-tris[(4-bromophenyl)methyl]-1,3,4,6,7,9-hexahydrocyclopenta[e]-as-indacene-2,5,8-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=C1CC2C3CC(=C(O)OCC)CC3C4CC(=C(O)OCC)CC4C2C1)O

DOS

IR

Vibrations