Geometry & MOs

Info

ID:	135747
PubChem CID:	51926178
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	369.217818
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	6.04
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](OC2=C1C=CC=C2C(=O)NC3CCCCCC3)C

DOS

IR

Vibrations