Geometry & MOs

Info

ID:	294055
PubChem CID:	117425530
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	2.66
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-chloro-4-methyl-1,3-benzodioxol-5-yl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C2(CC2)O)OC3CCC3

DOS

IR

Vibrations