Geometry & MOs

Info

ID:	372409
PubChem CID:	131297167
Reduced:	BrNOF3H5C10 (1)
Stoich.:	ABCD3E5F10 (1)
Weight, g/mol:	290.95066
ΔH_f, kcal/mol:	-124.69
Dipole, Da:	2.8
IP(EA), eV:	-10.75(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromoacetyl)-6-(difluoromethyl)-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)C(F)F)C(=O)CBr)C#N

DOS

IR

Vibrations