Geometry & MOs

Info

ID:	372244
PubChem CID:	131294651
Reduced:	N3O3H7C10 (1)
Stoich.:	A3B3C7D10 (1)
Weight, g/mol:	248.03281
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	5.15
IP(EA), eV:	-9.98(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=[N+]2[O-])C=O)C(=O)N

DOS

IR

Vibrations