Geometry & MOs

Info

ID:	349695
PubChem CID:	127275847
Reduced:	N2S2O3C16H28 (1)
Stoich.:	A2B2C3D16E28 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-161.88
Dipole, Da:	2.86
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CSCN1C(=O)CSCC2CCCCO2

DOS

IR

Vibrations