Geometry & MOs

Info

ID:	373155
PubChem CID:	131310821
Reduced:	FNC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	232.062361
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	4.95
IP(EA), eV:	-9.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-[3-(difluoromethyl)-4,5-difluorophenyl]propanenitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)C#N)C(F)F)N

DOS

IR

Vibrations