Geometry & MOs

Info

ID:	341396
PubChem CID:	127264089
Reduced:	SN3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	342.07134
ΔH_f, kcal/mol:	50.25
Dipole, Da:	1.24
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]piperazine;dihydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)SC=N2)N3CCNCC3

DOS

IR

Vibrations