Geometry & MOs

Info

ID:	321533
PubChem CID:	126666539
Reduced:	O2F3N5H20C21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	318.084079
ΔH_f, kcal/mol:	-130.2
Dipole, Da:	3.76
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(trifluoromethyl)triazol-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(F)(F)F)CC5=NOC(=N5)C

DOS

IR

Vibrations