Geometry & MOs

Info

ID:	67084
PubChem CID:	46505840
Reduced:	OBr2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	524.277404
ΔH_f, kcal/mol:	22.52
Dipole, Da:	2.1
IP(EA), eV:	-9.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-(2-methylbutan-2-yl)-2,6-bis[(2,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=CC=CC=C2Br)/C(=O)/C(=C\C3=CC=CC=C3Br)/C1

DOS

IR

Vibrations