Geometry & MOs

Info

ID:

10655

PubChem CID:

106122

Reduced:

NC56H116 (1)

Stoich.:

AB56C116 (1)

Weight, g/mol:

802.910778

ΔHf, kcal/mol:

-231.33

Dipole, Da:

1.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754380

Charge, e:

 1

Chem-info

IUPAC name:

ethyl(trioctadecyl)azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations