Geometry & MOs

Info

ID:	284527
PubChem CID:	104051625
Reduced:	BrO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	366.00222
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	5.41
IP(EA), eV:	-9.08(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chloro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2C3C2CCCC3)C)Br

DOS

IR

Vibrations