Geometry & MOs

Info

ID:	284517
PubChem CID:	104051613
Reduced:	BrCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations