Geometry & MOs

Info

ID:	372408
PubChem CID:	131297150
Reduced:	ON4C8H10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	290.95066
ΔH_f, kcal/mol:	27.49
Dipole, Da:	1.97
IP(EA), eV:	-9.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromoacetyl)-4-(difluoromethyl)-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(C#N)N)OC

DOS

IR

Vibrations