Geometry & MOs

Info

ID:	270870
PubChem CID:	103638476
Reduced:	ON5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	23.94
Dipole, Da:	3.93
IP(EA), eV:	-10.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C(=O)CN1C=NC=N1

DOS

IR

Vibrations