Geometry & MOs

Info

ID:

16050

PubChem CID:

458651

Reduced:

NO2C26H40 (1)

Stoich.:

AB2C26D40 (1)

Weight, g/mol:

398.305905

ΔHf, kcal/mol:

-42.61

Dipole, Da:

1.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750847

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-bis(6-phenoxyhexyl)azanium

Drug info:

PubChemData

Smile

C[N+](C)(CCCCCCOC1=CC=CC=C1)CCCCCCOC2=CC=CC=C2

DOS

IR

Vibrations