Geometry & MOs

Info

ID:	29166
PubChem CID:	832110
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	313.134575
ΔH_f, kcal/mol:	-22.73
Dipole, Da:	1.88
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2-chlorophenyl)-5-ethyl-6-(2-methylpropyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=NC=C2

DOS

IR

Vibrations