Geometry & MOs

Info

ID:	137378
PubChem CID:	52201547
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	361.223966
ΔH_f, kcal/mol:	11.06
Dipole, Da:	6.46
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

DOS

IR

Vibrations