Geometry & MOs

Info

ID:

193972

PubChem CID:

78462061

Reduced:

N2C10H17 (1)

Stoich.:

A2B10C17 (1)

Weight, g/mol:

210.136828

ΔHf, kcal/mol:

33.23

Dipole, Da:

3.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754234

Charge, e:

 2

Chem-info

IUPAC name:

[2-azaniumyl-1-(1,3-benzodioxol-5-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1C2=CC=C(N2CC[NH2+]1)C

DOS

IR

Vibrations