Geometry & MOs

Info

ID:	343418
PubChem CID:	127266591
Reduced:	ClFON4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	326.09906
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	3.68
IP(EA), eV:	-9.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-1,2,4-triazol-5-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1NC(=O)CC2=NC=NN2)C3=CC(=C(C=C3)Cl)F

DOS

IR

Vibrations