Geometry & MOs

Info

ID:	324115
PubChem CID:	126676945
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-195.58
Dipole, Da:	1.32
IP(EA), eV:	-9.01(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3S,4R)-3-(hydroxymethyl)-2-methylpiperidin-4-yl]phenol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](CCN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)OC)CO

DOS

IR

Vibrations