Geometry & MOs

Info

ID:	373306
PubChem CID:	131312995
Reduced:	BrNOF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-139.55
Dipole, Da:	2.63
IP(EA), eV:	-9.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-3-(difluoromethoxy)-2-fluorophenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)F)OC(F)F)CC#N

DOS

IR

Vibrations