Geometry & MOs

Info

ID:	286018
PubChem CID:	104145946
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	2.76
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(CC)C2=CC=C(C=C2)C)N

DOS

IR

Vibrations