Geometry & MOs

Info

ID:	327319
PubChem CID:	126689518
Reduced:	ON3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	245.03559
ΔH_f, kcal/mol:	71.81
Dipole, Da:	3.11
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CN4C(=NNC4=O)C=C3

DOS

IR

Vibrations