Geometry & MOs

Info

ID:	130806
PubChem CID:	51110037
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	424.141656
ΔH_f, kcal/mol:	-152.87
Dipole, Da:	3.05
IP(EA), eV:	-9.44(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

DOS

IR

Vibrations