Geometry & MOs

Info

ID:	41450
PubChem CID:	8145907
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	2.5
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(=O)N/N=C\C2=CC=CC=C2

DOS

IR

Vibrations