Geometry & MOs

Info

ID:	137383
PubChem CID:	52202012
Reduced:	FO2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	374.207981
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	3.35
IP(EA), eV:	-8.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethyl-5-[(1S)-1-[4-(2,4,6-trimethoxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations