Geometry & MOs

Info

ID:	277371
PubChem CID:	103828122
Reduced:	ClN3O4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-37.87
Dipole, Da:	3.93
IP(EA), eV:	-8.95(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-2,4-dimethylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations