Geometry & MOs

Info

ID:	415925
PubChem CID:	135088927
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-169.98
Dipole, Da:	4.93
IP(EA), eV:	-8.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2-carboxyphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)NC(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations