Geometry & MOs

Info

ID:	410632
PubChem CID:	135083432
Reduced:	ZrC23H32 (1)
Stoich.:	AB23C32 (1)
Weight, g/mol:	460.17075
ΔH_f, kcal/mol:	143.23
Dipole, Da:	2.84
IP(EA), eV:	-5.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC/C=C/[CH2-].CC1=C([C](C(=C1C)C)C)C.C\1=C\C=C/C=C\C=C1.[Zr]

DOS

IR

Vibrations