Geometry & MOs

Info

ID:	204983
PubChem CID:	80039231
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	8.95
IP(EA), eV:	-9.24(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(4-methylpentyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CCC(=O)OC)C1=CC(=C(C=C1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations