Geometry & MOs

Info

ID:	341397
PubChem CID:	127264090
Reduced:	Cl2F2N2O2C13H18 (1)
Stoich.:	A2B2C2D2E13F18 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-223.48
Dipole, Da:	1.51
IP(EA), eV:	-8.91(-0.86)
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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OC(O2)(F)F)N3CCNCC3.Cl.Cl

DOS

IR

Vibrations