Geometry & MOs

Info

ID:	337277
PubChem CID:	127256959
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	2.89
IP(EA), eV:	-9.11(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-[(3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C#C)OC(=O)C1CCCNC1

DOS

IR

Vibrations