Geometry & MOs

Info

ID:	284496
PubChem CID:	104051482
Reduced:	BrClO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	346.05684
ΔH_f, kcal/mol:	-53.83
Dipole, Da:	2.29
IP(EA), eV:	-9.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations