Geometry & MOs

Info

ID:

15121

PubChem CID:

430091

Reduced:

NC20H42 (1)

Stoich.:

AB20C42 (1)

Weight, g/mol:

296.331725

ΔHf, kcal/mol:

-42.11

Dipole, Da:

0.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751185

Charge, e:

 1

Chem-info

IUPAC name:

1-dodecyl-1-ethylazepan-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1(CCCCCC1)CC

DOS

IR

Vibrations