Geometry & MOs

Info

ID:	373650
PubChem CID:	131318284
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	216.051047
ΔH_f, kcal/mol:	-142.71
Dipole, Da:	4.23
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1N)CC#N)F)OC(F)F

DOS

IR

Vibrations