Geometry & MOs

Info

ID:	284513
PubChem CID:	104051607
Reduced:	BrO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	366.00222
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	4.78
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2(CCCC2)C)C)Br

DOS

IR

Vibrations