Geometry & MOs

Info

ID:	195413
PubChem CID:	78683435
Reduced:	Cl2O2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	4.95
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)N(C)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations