Geometry & MOs

Info

ID:	134288
PubChem CID:	51673088
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	345.254203
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	5.71
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](OC2=C1C=CC=C2C(=O)N[C@@H](C)C3=CC=C(C=C3)S(=O)(=O)C)C

DOS

IR

Vibrations