Geometry & MOs

Info

ID:	202863
PubChem CID:	79735194
Reduced:	BrFOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	337.99539
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	4.96
IP(EA), eV:	-9.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(3,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations