Geometry & MOs

Info

ID:	22399
PubChem CID:	597152
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	2.5
IP(EA), eV:	-9.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C=CCN2N1C(=O)N(C2=O)C

DOS

IR

Vibrations