Geometry & MOs

Info

ID:	416905
PubChem CID:	135090748
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	5.22
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(3-phenylbenzoyl)-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=CC(=C1)N2CCCCC2)Cl)OC3=CN=CC=C3

DOS

IR

Vibrations