Geometry & MOs

Info

ID:	273278
PubChem CID:	103770813
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	4.83
IP(EA), eV:	-9.91(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-5-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations