Geometry & MOs

Info

ID:	419047
PubChem CID:	135107385
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	377.183838
ΔH_f, kcal/mol:	57.7
Dipole, Da:	5.48
IP(EA), eV:	-8.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations