Geometry & MOs

Info

ID:	356729
PubChem CID:	127292210
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	353.114234
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	1.96
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NCCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations