Geometry & MOs

Info

ID:	217189
PubChem CID:	85087399
Reduced:	NO6C17H27 (1)
Stoich.:	AB6C17D27 (1)
Weight, g/mol:	347.243359
ΔH_f, kcal/mol:	-272.15
Dipole, Da:	0.71
IP(EA), eV:	-10.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-7-[2-(diethylamino)ethylamino]-2,3a,5,6,7,7a-hexahydro-1H-triazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CCCCCC(CC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

DOS

IR

Vibrations