Geometry & MOs

Info

ID:	321669
PubChem CID:	126666769
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	317.08883
ΔH_f, kcal/mol:	44.98
Dipole, Da:	1.1
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-3H-imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC=NC4=C32)CC5=NOC=C5

DOS

IR

Vibrations