Geometry & MOs

Info

ID:	321657
PubChem CID:	126666745
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	6.23
Dipole, Da:	5.35
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-chloro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CC(CCO1)N2C(=NC3=C2C4=CC=CC=C4N=C3)C

DOS

IR

Vibrations