Geometry & MOs

Info

ID:

424297

PubChem CID:

135122117

Reduced:

ON2C13H25 (1)

Stoich.:

AB2C13D25 (1)

Weight, g/mol:

523.36001

ΔHf, kcal/mol:

-45.43

Dipole, Da:

1.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.795950

Charge, e:

 0

Chem-info

IUPAC name:

octadecyl(tripropyl)azanium;bromate

Drug info:

PubChemData

Smile

CC1=[N+](C=CN1CCCCCCCCO)C

DOS

IR

Vibrations