Geometry & MOs

Info

ID:

7195

PubChem CID:

71504

Reduced:

NC22H40 (1)

Stoich.:

AB22C40 (1)

Weight, g/mol:

318.316075

ΔHf, kcal/mol:

-32.07

Dipole, Da:

1.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.128652

Charge, e:

 1

Chem-info

IUPAC name:

trimethyl-[1-(4-methylphenyl)dodecyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations