Geometry & MOs

Info

ID:	156523
PubChem CID:	56370984
Reduced:	OS2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	411.117883
ΔH_f, kcal/mol:	-7.69
Dipole, Da:	2.76
IP(EA), eV:	-8.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NC3CCN(C3)C4CCCCCC4

DOS

IR

Vibrations