Geometry & MOs

Info

ID:	400198
PubChem CID:	135046468
Reduced:	SZrC20H30 (1)
Stoich.:	ABC20D30 (1)
Weight, g/mol:	662.06576
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	3.74
IP(EA), eV:	-5.46(-3.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.S=[Zr]

DOS

IR

Vibrations