Geometry & MOs

Info

ID:	67034
PubChem CID:	46505738
Reduced:	OC24H26 (1)
Stoich.:	AB24C26 (1)
Weight, g/mol:	477.96022
ΔH_f, kcal/mol:	2.94
Dipole, Da:	2.42
IP(EA), eV:	-8.81(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-2,5-bis[(5-bromo-2-methoxyphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)CC)/CCC2

DOS

IR

Vibrations