Geometry & MOs

Info

ID:	337278
PubChem CID:	127256960
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-165.19
Dipole, Da:	5.31
IP(EA), eV:	-9.15(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C[C@@H]2[C@@H](CCCN2)C(=O)O)OC

DOS

IR

Vibrations