Geometry & MOs

Info

ID:

15074

PubChem CID:

428870

Reduced:

NC24H44 (1)

Stoich.:

AB24C44 (1)

Weight, g/mol:

346.347375

ΔHf, kcal/mol:

-16.55

Dipole, Da:

1.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.783533

Charge, e:

 1

Chem-info

IUPAC name:

hexadecyl-dimethyl-phenylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+](C)(C)C1=CC=CC=C1

DOS

IR

Vibrations