Geometry & MOs

Info

ID:

146783

PubChem CID:

53749188

Reduced:

NC22H34 (1)

Stoich.:

AB22C34 (1)

Weight, g/mol:

464.459331

ΔHf, kcal/mol:

39.39

Dipole, Da:

7.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.062434

Charge, e:

 0

Chem-info

IUPAC name:

2-(11-methyldodecyl)octadec-9-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCC[N+](CC)(CC)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations