Geometry & MOs

Info

ID:	324308
PubChem CID:	126677408
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	3.88
IP(EA), eV:	-8.86(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-3-(hydroxymethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@H]2CCNC[C@@H]2CO

DOS

IR

Vibrations