Geometry & MOs

Info

ID:

2861

PubChem CID:

8754

Reduced:

NC21H38 (1)

Stoich.:

AB21C38 (1)

Weight, g/mol:

304.300425

ΔHf, kcal/mol:

-5.5

Dipole, Da:

3.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.958394

Charge, e:

 1

Chem-info

IUPAC name:

benzyl-dodecyl-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

DOS

IR

Vibrations