Geometry & MOs

Info

ID:	168684
PubChem CID:	75002429
Reduced:	NO2S2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	500.149633
ΔH_f, kcal/mol:	56.79
Dipole, Da:	1.78
IP(EA), eV:	-8.33(-0.71)
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;methanesulfonic acid

Drug info:

PubChemData

Smile

COC(=O)C1C2CCC3N2CC(=CC4=CC=C(S4)C5=CC=C(C=C5)SC)C1C3

DOS

IR

Vibrations