Geometry & MOs

Info

ID:	138133
PubChem CID:	52317037
Reduced:	N3C16H17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	251.142248
ΔH_f, kcal/mol:	62.52
Dipole, Da:	5.9
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[C@@H](C)NC2=NC=C(C=C2)C#N

DOS

IR

Vibrations