Geometry & MOs

Info

ID:

133291

PubChem CID:

51504850

Reduced:

N2O2C20H23 (1)

Stoich.:

A2B2C20D23 (1)

Weight, g/mol:

342.170533

ΔHf, kcal/mol:

9.37

Dipole, Da:

2.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.047952

Charge, e:

 1

Chem-info

IUPAC name:

(6-ethoxy-1,3-benzodioxol-5-yl)methyl-[1-(4-methoxyphenyl)cyclopropyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CC2)[NH2+]CC3=CNC4=C3C=CC(=C4)OC

DOS

IR

Vibrations