Geometry & MOs

Info

ID:	784
PubChem CID:	3351
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	2.86
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations