Geometry & MOs

Info

ID:	410633
PubChem CID:	135083433
Reduced:	ZrC28H34 (1)
Stoich.:	AB28C34 (1)
Weight, g/mol:	384.13945
ΔH_f, kcal/mol:	48.7
Dipole, Da:	1.55
IP(EA), eV:	-6.69(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations