Geometry & MOs

Info

ID:	321541
PubChem CID:	126666549
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	384.126551
ΔH_f, kcal/mol:	54.93
Dipole, Da:	6.09
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(1R,3S)-3-fluorocyclopentyl]-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC(=C5)C

DOS

IR

Vibrations