Geometry & MOs

Info

ID:	133811
PubChem CID:	51593052
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	309.20006
ΔH_f, kcal/mol:	-120.16
Dipole, Da:	3.23
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R)-2-[4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-yl]-1-thiophen-2-ylethanol

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CCC(=O)N2CCC(CC2)(CN3C=NC4=CC=CC=C4C3=O)O

DOS

IR

Vibrations