Geometry & MOs

Info

ID:	341382
PubChem CID:	127264075
Reduced:	ON3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	320.105833
ΔH_f, kcal/mol:	70.65
Dipole, Da:	2.79
IP(EA), eV:	-9.78(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine;dihydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=NON=C2C=C1)N

DOS

IR

Vibrations