Geometry & MOs

Info

ID:	223473
PubChem CID:	85335094
Reduced:	ClO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	7.42
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC=CC1=C(C(=O)C=C(O1)CO)OCCCCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations