Geometry & MOs

Info

ID:	369763
PubChem CID:	127335235
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	37.83
Dipole, Da:	5.64
IP(EA), eV:	-8.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations