Geometry & MOs

Info

ID:	182336
PubChem CID:	76876132
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	12.1
Dipole, Da:	8.06
IP(EA), eV:	-9.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylphenyl)ethyl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2Br)C(=O)C3C=CC(=O)N=C3

DOS

IR

Vibrations