Geometry & MOs

Info

ID:	188145
PubChem CID:	77673847
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	366.120716
ΔH_f, kcal/mol:	-106.83
Dipole, Da:	5.16
IP(EA), eV:	-10.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC12CCCC1C3C(CC2)C4CCC(=O)C=C4CC3=O

DOS

IR

Vibrations