Geometry & MOs

Info

ID:

378627

PubChem CID:

134224720

Reduced:

OSN2H34C55 (1)

Stoich.:

ABC2D34E55 (1)

Weight, g/mol:

692.307916

ΔHf, kcal/mol:

226.67

Dipole, Da:

4.28

IP(EA), eV:

 -8.18(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]phenyl]phenyl]-(4-phenylphenyl)methyl]dibenzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=C(C=C(C=C5)/C(=C/C6=C7C(=CC=C6)C8=CC=CC=C8O7)/C9=CC1=C(C=C9)C2=CC=CC=C2S1)C1=CC=NC=C1

DOS

IR

Vibrations