Geometry & MOs

Info

ID:	177376
PubChem CID:	76178417
Reduced:	SN2O4H36C38 (1)
Stoich.:	AB2C4D36E38 (1)
Weight, g/mol:	293.043041
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	2.19
IP(EA), eV:	-8.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-hydroxy-5-[3-(trifluoromethyl)phenyl]piperidin-2-one

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(C2C(C3CCCC(C3NC2=O)C4=CC=CC=C4)O)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O

DOS

IR

Vibrations