Geometry & MOs

Info

ID:	140843
PubChem CID:	52768249
Reduced:	SN3O7C18H21 (1)
Stoich.:	AB3C7D18E21 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-157.46
Dipole, Da:	5.26
IP(EA), eV:	-9.35(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)NCCCCC(=O)OC)[N+](=O)[O-])OCC2=CSC=N2

DOS

IR

Vibrations