Geometry & MOs

Info

ID:

23528

PubChem CID:

604356

Reduced:

CrC22H33 (1)

Stoich.:

AB22C33 (1)

Weight, g/mol:

349.198731

ΔHf, kcal/mol:

258.81

Dipole, Da:

1.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.381555

Charge, e:

 -9

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C-]1C2CCC([C-]1C)[CH-]CC[CH-]2.C[C-]1[C-]([C-]([C-]([C-]1C)C)C)C.[Cr]

DOS

IR

Vibrations