Geometry & MOs

Info

ID:

400269

PubChem CID:

135047140

Reduced:

ReO3H8C10 (1)

Stoich.:

AB3C8D10 (1)

Weight, g/mol:

165.115364

ΔHf, kcal/mol:

25.99

Dipole, Da:

4.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.188776

Charge, e:

 0

Chem-info

IUPAC name:

1,2,3,4,5-pentamethyl-5-nitrosocyclopenta-1,3-diene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]

DOS

IR

Vibrations