Geometry & MOs

Info

ID:	400345
PubChem CID:	135047634
Reduced:	MnO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	230.985387
ΔH_f, kcal/mol:	-33.38
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.085433
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;manganese;toluene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]

DOS

IR

Vibrations