Geometry & MOs

Info

ID:	341392
PubChem CID:	127264085
Reduced:	ClNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	306.090183
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	5.89
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations