Geometry & MOs

Info

ID:	420531
PubChem CID:	135113661
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	5.9
IP(EA), eV:	-9.2(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[3-(2-methylphenyl)propanoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations