Geometry & MOs

Info

ID:	167297
PubChem CID:	74806005
Reduced:	SN2O2C23H32 (1)
Stoich.:	AB2C2D23E32 (1)
Weight, g/mol:	430.180053
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	2.94
IP(EA), eV:	-8.46(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]-thiophen-2-ylmethanol

Drug info:

PubChemData

Smile

C1C[NH+](CC2=CC=CC=C21)CC(COC3=CC=CC(=C3)C[NH+]4CCSCC4)O

DOS

IR

Vibrations