Geometry & MOs

Info

ID:	341393
PubChem CID:	127264086
Reduced:	Cl2N2O2C13H20 (1)
Stoich.:	A2B2C2D13E20 (1)
Weight, g/mol:	306.090183
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	4.84
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazine;dihydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)OCO2)N3CCNCC3.Cl.Cl

DOS

IR

Vibrations