Geometry & MOs

Info

ID:	35115
PubChem CID:	7979336
Reduced:	NSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	354.243304
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	2.01
IP(EA), eV:	-9.05(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[(R)-(2-methylphenyl)-phenylmethoxy]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(=O)COC(=O)[C@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations