Geometry & MOs

Info

ID:	38572
PubChem CID:	8137110
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	5.1
IP(EA), eV:	-9.55(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations