Geometry & MOs

Info

ID:	277383
PubChem CID:	103828161
Reduced:	ClN3O4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	2.95
IP(EA), eV:	-9.06(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-3-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)NC(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations