Geometry & MOs

Info

ID:	374424
PubChem CID:	131329035
Reduced:	NOF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	261.98048
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	4.55
IP(EA), eV:	-10.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-3-(difluoromethyl)-5-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(=O)C)C#N)C(F)F

DOS

IR

Vibrations