Geometry & MOs

Info

ID:	170765
PubChem CID:	75277525
Reduced:	ClN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	7.45
IP(EA), eV:	-8.78(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2C=CC(=O)N=C2

DOS

IR

Vibrations