Geometry & MOs

Info

ID:	244646
PubChem CID:	99376198
Reduced:	ClN2O3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	366.17102
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	2.65
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)[C@@H](C)OC2=C(C=CC(=C2)C)Cl

DOS

IR

Vibrations