Geometry & MOs

Info

ID:	23106
PubChem CID:	601950
Reduced:	N3O4C17H27 (1)
Stoich.:	A3B4C17D27 (1)
Weight, g/mol:	337.200156
ΔH_f, kcal/mol:	-173.37
Dipole, Da:	1.22
IP(EA), eV:	-9.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyl-1,3-dioxo-8-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl)pentyl acetate

Drug info:

PubChemData

Smile

CCCC1C=CC(N2N1C(=O)N(C2=O)C)CCCCCOC(=O)C

DOS

IR

Vibrations