Geometry & MOs

Info

ID:	416338
PubChem CID:	135089351
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	5.34
IP(EA), eV:	-9.42(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)NC2CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations