Geometry & MOs

Info

ID:	272896
PubChem CID:	103764226
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	3.4
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxy-4-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CNC(=O)C1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations