Geometry & MOs

Info

ID:

314130

PubChem CID:

126620554

Reduced:

NH43C61 (1)

Stoich.:

AB43C61 (1)

Weight, g/mol:

891.386501

ΔHf, kcal/mol:

230.38

Dipole, Da:

3.21

IP(EA), eV:

 -8.08(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(9,9-dimethyl-7-phenyl-5,6-dihydrofluoren-2-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)N5C=C(C6=C5C=CC(=C6)C7=CC=C(C=C7)C8=CC=CC9=CC=CC=C98)C1=CC=C(C=C1)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations