Geometry & MOs

Info

ID:	182334
PubChem CID:	76876130
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	2.86
IP(EA), eV:	-9.89(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-methylphenyl)methyl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Cl)NC(=O)C2C=CC(=O)N=C2

DOS

IR

Vibrations