Geometry & MOs

Info

ID:

379089

PubChem CID:

134352333

Reduced:

NH41C60 (1)

Stoich.:

AB41C60 (1)

Weight, g/mol:

651.2926

ΔHf, kcal/mol:

256.9

Dipole, Da:

1.02

IP(EA), eV:

 -7.89(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-phenyl-N-[3-(7-phenylbenzo[a]phenalen-7-yl)phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7(C8=CC=CC=C8C9=CC=CC1=C9C7=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations