Geometry & MOs

Info

ID:	272885
PubChem CID:	103763727
Reduced:	BrClON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	27.17
Dipole, Da:	2.23
IP(EA), eV:	-9.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CNC(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations