Geometry & MOs

Info

ID:	41452
PubChem CID:	8145909
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	2.72
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4O)OCO5

DOS

IR

Vibrations