Geometry & MOs

Info

ID:	196370
PubChem CID:	78816045
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-105.25
Dipole, Da:	3.39
IP(EA), eV:	-8.62(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2(CCN(CC2)S(=O)(=O)CC)C3=CC=CC=C3

DOS

IR

Vibrations