Geometry & MOs

Info

ID:	425166
PubChem CID:	135125393
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	3.67
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-propoxyphenyl)-4,6-dihydro-2H-triazolo[4,5-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=CC5=C(C=CC=N5)C=C4

DOS

IR

Vibrations