Geometry & MOs

Info

ID:

394252

PubChem CID:

135022642

Reduced:

CO2N5 (1)

Stoich.:

AB2C5 (1)

Weight, g/mol:

346.128877

ΔHf, kcal/mol:

152.15

Dipole, Da:

0.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.821983

Charge, e:

 0

Chem-info

IUPAC name:

1,3-dichloro-5-dodecylsulfanylbenzene

Drug info:

PubChemData

Smile

C1(=NN=N[N-]1)[N+](=O)[O-]

DOS

IR

Vibrations