Geometry & MOs

Info

ID:	272883
PubChem CID:	103763608
Reduced:	BrClON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	305.056719
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	1.99
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-2-oxo-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations