Geometry & MOs

Info

ID:	386912
PubChem CID:	134983346
Reduced:	ClO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	379.98148
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	6.63
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-chlorophenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C3=C(CCCCCC3)C4=C2C(=O)C4Cl)OCC

DOS

IR

Vibrations