Geometry & MOs

Info

ID:

217

PubChem CID:

2330

Reduced:

NC22H40 (1)

Stoich.:

AB22C40 (1)

Weight, g/mol:

318.316075

ΔHf, kcal/mol:

-23.26

Dipole, Da:

1.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.126510

Charge, e:

 1

Chem-info

IUPAC name:

benzyl-dimethyl-tridecylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations