Geometry & MOs

Info

ID:

313152

PubChem CID:

126612259

Reduced:

NOH39C58 (1)

Stoich.:

ABC39D58 (1)

Weight, g/mol:

971.412715

ΔHf, kcal/mol:

307.47

Dipole, Da:

3.6

IP(EA), eV:

 -7.68(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=CC4=C(C=C3C2(C5=CC=CC=C5)C6=CC=CC=C6)OC7=C(N4C8=CC=CC=C8)C=C9C1=C(C=C(C=C1)C)C(C9=C7)(C1=CC=CC=C1)C1=CC=CC#C1

DOS

IR

Vibrations