Geometry & MOs

Info

ID:

328853

PubChem CID:

126728367

Reduced:

P2N5O7C19H26 (1)

Stoich.:

A2B5C7D19E26 (1)

Weight, g/mol:

1365.766854

ΔHf, kcal/mol:

-242.55

Dipole, Da:

5.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769583

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[3-[[3-[[9-methyl-7-(N-naphthalen-1-ylanilino)-9H-fluoren-2-yl]-naphthalen-1-ylamino]phenyl]methyl]phenyl]-7-N-(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

C1CC/C=C/C(CC1)OC(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C5C(O4)COP(=P)(O5)O)O

DOS

IR

Vibrations