Geometry & MOs

Info

ID:	314148
PubChem CID:	126620642
Reduced:	NH41C60 (1)
Stoich.:	AB41C60 (1)
Weight, g/mol:	613.27695
ΔH_f, kcal/mol:	246.9
Dipole, Da:	2.61
IP(EA), eV:	-8.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9,9-dimethylfluoren-2-yl)-3,5-bis(4-phenylphenyl)indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C=C5C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations