Geometry & MOs

Info

ID:	284520
PubChem CID:	104051616
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	415.92458
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	3.72
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations