Geometry & MOs

Info

ID:	277192
PubChem CID:	103827239
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	4.62
IP(EA), eV:	-9.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethylpyridin-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations