Geometry & MOs

Info

ID:	325235
PubChem CID:	126682208
Reduced:	ClOSN5H22C23 (1)
Stoich.:	ABCD5E22F23 (1)
Weight, g/mol:	421.166938
ΔH_f, kcal/mol:	54.56
Dipole, Da:	2.09
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=CN6C=C(SC6=N5)C

DOS

IR

Vibrations