Geometry & MOs

Info

ID:	277372
PubChem CID:	103828123
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	6.38
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC(=O)C2=CNC(=CC2=O)C)C)O

DOS

IR

Vibrations