Geometry & MOs

Info

ID:	344548
PubChem CID:	127268132
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	5.72
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=CS1)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations