Geometry & MOs

Info

ID:	285984
PubChem CID:	104143538
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	16.47
Dipole, Da:	2.3
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-ethyl-N-methyl-6-(propylamino)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)NC2=NC=CC=N2)NCC

DOS

IR

Vibrations