Geometry & MOs

Info

ID:	244660
PubChem CID:	99376302
Reduced:	SO4N5C24H33 (1)
Stoich.:	AB4C5D24E33 (1)
Weight, g/mol:	380.18667
ΔH_f, kcal/mol:	-143.06
Dipole, Da:	3.91
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations