Geometry & MOs

Info

ID:	226855
PubChem CID:	87558634
Reduced:	O5C55H98 (1)
Stoich.:	A5B55C98 (1)
Weight, g/mol:	416.017621
ΔH_f, kcal/mol:	-405.04
Dipole, Da:	5.73
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dihydrofluoren-1-ide;2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene;zirconium(2+)

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)/C(=C\C(=O)O)/CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations