Geometry & MOs

Info

ID:	372472
PubChem CID:	131298222
Reduced:	BrNOF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	1.7
IP(EA), eV:	-10.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-(difluoromethoxy)-5-fluorophenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC#N)F)Br)OC(F)F

DOS

IR

Vibrations