Geometry & MOs

Info

ID:	373305
PubChem CID:	131312984
Reduced:	NO2F4H5C9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-240.99
Dipole, Da:	3.8
IP(EA), eV:	-10.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1C#N)F)OC(F)(F)F)CO

DOS

IR

Vibrations