Geometry & MOs

Info

ID:	68169
PubChem CID:	46507894
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	402.112819
ΔH_f, kcal/mol:	60.95
Dipole, Da:	5.65
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-3-(2-oxochromen-3-yl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C3=CC=CC=C32)Cl

DOS

IR

Vibrations