Geometry & MOs

Info

ID:	321625
PubChem CID:	126666694
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	382.130887
ΔH_f, kcal/mol:	40.83
Dipole, Da:	5.19
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2S,4S)-2-methyloxan-4-yl]-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

CC1(CC(CCO1)N2C(=NC3=C2C4=CC=CC=C4N=C3)CC5=CSC=N5)C

DOS

IR

Vibrations