Geometry & MOs

Info

ID:	284505
PubChem CID:	104051595
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	346.05684
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	2.0
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)CC2=CC=CC=C2)C)Br

DOS

IR

Vibrations