Geometry & MOs

Info

ID:	342985
PubChem CID:	127266148
Reduced:	OSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-0.8
Dipole, Da:	6.01
IP(EA), eV:	-8.37(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-1-methyl-4-oxoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC#N)NC(=O)C1=CNC(=S)N1C

DOS

IR

Vibrations