Geometry & MOs

Info

ID:	226768
PubChem CID:	87558190
Reduced:	H44C45 (1)
Stoich.:	A44B45 (1)
Weight, g/mol:	326.112922
ΔH_f, kcal/mol:	125.52
Dipole, Da:	0.87
IP(EA), eV:	-8.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(9H-fluoren-1-yl)-3-methylcyclopenta-1,4-dien-1-yl]thiophene

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC2C3=C(C(=C(C4=CC=CC=C4)C5=CC=CC=C5)C=C6C3=CC7=C6C=CC(=C7)C(C)(C)C)C(C)(C)C)C=C1)C

DOS

IR

Vibrations