Geometry & MOs

Info

ID:	22491
PubChem CID:	597370
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	2.42
IP(EA), eV:	-9.49(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

Drug info:

PubChemData

Smile

CN1C(=O)N2CC=CCN2C1=O

DOS

IR

Vibrations