Geometry & MOs

Info

ID:	321554
PubChem CID:	126666590
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	317.08883
ΔH_f, kcal/mol:	17.89
Dipole, Da:	1.82
IP(EA), eV:	-8.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(trifluoromethyl)pyrazol-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)Cl)CN5C=C(C=N5)OC

DOS

IR

Vibrations