Geometry & MOs

Info

ID:	327995
PubChem CID:	126691656
Reduced:	O3F6N7H29C30 (1)
Stoich.:	A3B6C7D29E30 (1)
Weight, g/mol:	328.089102
ΔH_f, kcal/mol:	-288.33
Dipole, Da:	3.05
IP(EA), eV:	-8.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chloro-5-fluoropyridin-3-yl)-1,9-dimethyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CC5=NNNN5)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations