Geometry & MOs

Info

ID:

192405

PubChem CID:

78266485

Reduced:

OSN3C17H18 (1)

Stoich.:

ABC3D17E18 (1)

Weight, g/mol:

282.230728

ΔHf, kcal/mol:

40.36

Dipole, Da:

9.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.949598

Charge, e:

 2

Chem-info

IUPAC name:

2-azaniumylethyl-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[NH2+]C(=N2)SCC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations