Geometry & MOs

Info

ID:	182358
PubChem CID:	76880562
Reduced:	ClN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	8.35
IP(EA), eV:	-9.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2C=CC(=O)N=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations