Geometry & MOs

Info

ID:	147985
PubChem CID:	53787647
Reduced:	NO3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	1.44
IP(EA), eV:	-8.52(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)OC1=CC=C(C=C1)OC(CC2CCCCN2C)C3=CC=CC=C3

DOS

IR

Vibrations