Geometry & MOs

Info

ID:	272878
PubChem CID:	103763442
Reduced:	BrClN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	2.87
IP(EA), eV:	-9.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)C1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations