Geometry & MOs

Info

ID:	409217
PubChem CID:	135081997
Reduced:	ZrC19H26 (1)
Stoich.:	AB19C26 (1)
Weight, g/mol:	358.1238
ΔH_f, kcal/mol:	40.5
Dipole, Da:	6.7
IP(EA), eV:	-6.33(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[CH3-].CC1=C([C](C(=C1C)C)C)C.C\1=C\C=C/C=C\C=C1.[Zr]

DOS

IR

Vibrations