Geometry & MOs

Info

ID:	321553
PubChem CID:	126666587
Reduced:	OSN5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	60.71
Dipole, Da:	2.92
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-[(4-methoxypyrazol-1-yl)methyl]-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=NC4=C32)CC5=CSC=N5

DOS

IR

Vibrations