Geometry & MOs

Info

ID:	134044
PubChem CID:	51630448
Reduced:	ClO3N5C25H32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	409.227337
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	6.18
IP(EA), eV:	-9.24(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-4-ium-1-yl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN(C4=O)CC5CCCC(C5)Cl

DOS

IR

Vibrations