Geometry & MOs

Info

ID:	263057
PubChem CID:	103337287
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-78.98
Dipole, Da:	6.22
IP(EA), eV:	-8.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylamino)phenyl]-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC(C)C)C(=O)C1=CNC=CC1=O

DOS

IR

Vibrations