Geometry & MOs

Info

ID:	207391
PubChem CID:	80391213
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	324.99138
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	4.54
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-bromophenyl)-2-(2,4-difluorophenyl)ethanone

Drug info:

PubChemData

Smile

CCC1(CN(C1)C(=O)CC2=C(C=C(C=C2)F)F)N

DOS

IR

Vibrations