Geometry & MOs

Info

ID:	284538
PubChem CID:	104051639
Reduced:	BrFO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	411.94966
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	4.05
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations