Geometry & MOs

Info

ID:	208180
PubChem CID:	80502292
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	223.106925
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	4.12
IP(EA), eV:	-10.12(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hydroxybutan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)C1(CC(C1)C)C#N

DOS

IR

Vibrations