Geometry & MOs

Info

ID:	418111
PubChem CID:	135103597
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	4.61
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)N3CCOC(C3)C4=CC=CC=C4

DOS

IR

Vibrations