Geometry & MOs

Info

ID:	41451
PubChem CID:	8145908
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	2.38
IP(EA), eV:	-4.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4O)OCO5

DOS

IR

Vibrations