Geometry & MOs

Info

ID:	327953
PubChem CID:	126691494
Reduced:	ClOH19C20 (1)
Stoich.:	ABC19D20 (1)
Weight, g/mol:	345.170194
ΔH_f, kcal/mol:	22.34
Dipole, Da:	4.07
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline

Drug info:

PubChemData

Smile

C1CC2=CC3C(C=C2C(=O)C1)C4CC4CC5=C3C=CC(=C5)Cl

DOS

IR

Vibrations