Geometry & MOs

Info

ID:	133739
PubChem CID:	51585179
Reduced:	SN4O6C19H20 (1)
Stoich.:	AB4C6D19E20 (1)
Weight, g/mol:	329.24537
ΔH_f, kcal/mol:	-155.97
Dipole, Da:	6.34
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-3-[(4-cyclohexyltriazol-1-yl)methyl]-1-(1H-imidazol-3-ium-2-ylmethyl)piperidine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)COC(=O)C3=CSC(=N3)NCC=C

DOS

IR

Vibrations