Geometry & MOs

Info

ID:	410628
PubChem CID:	135083428
Reduced:	ZrC21H26 (1)
Stoich.:	AB21C26 (1)
Weight, g/mol:	430.1238
ΔH_f, kcal/mol:	79.49
Dipole, Da:	0.37
IP(EA), eV:	-6.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations