Geometry & MOs

Info

ID:

400256

PubChem CID:

135047023

Reduced:

SC13H21 (1)

Stoich.:

AB13C21 (1)

Weight, g/mol:

412.202443

ΔHf, kcal/mol:

14.48

Dipole, Da:

2.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.846502

Charge, e:

 2

Chem-info

IUPAC name:

azanylidyneoxidanium;carbon monoxide;iron;tetrabutylazanium

Drug info:

PubChemData

Smile

CCCCCCCCS[C]1[CH][CH][CH][CH]1

DOS

IR

Vibrations