Geometry & MOs

Info

ID:	273555
PubChem CID:	103771366
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	2.96
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C(C)OC1=CC=CC=C1C#N)O

DOS

IR

Vibrations