Geometry & MOs

Info

ID:	168685
PubChem CID:	75002459
Reduced:	ClSN4O6C21H29 (1)
Stoich.:	ABC4D6E21F29 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	-231.82
Dipole, Da:	3.83
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-(1-pyridin-4-ylbutyl)-3,4a,5,5a,6,7,8,9,9a,10a-decahydropyridazino[4,5-b]quinoline-1,4,10-trione

Drug info:

PubChemData

Smile

CCCC(C1=CC=NC=C1)N2C(=O)C3C(C(=O)N2)NC4CC(CCC4C3=O)Cl.CS(=O)(=O)O

DOS

IR

Vibrations