Geometry & MOs

Info

ID:	372245
PubChem CID:	131294655
Reduced:	ClN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	248.03281
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	1.48
IP(EA), eV:	-10.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(C#N)N)C(F)(F)F

DOS

IR

Vibrations