Geometry & MOs

Info

ID:

313141

PubChem CID:

126612202

Reduced:

NO3H29C48 (1)

Stoich.:

AB3C29D48 (1)

Weight, g/mol:

1356.603871

ΔHf, kcal/mol:

117.35

Dipole, Da:

2.21

IP(EA), eV:

 -7.98(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-phenyl-2,6-bis(4-phenylphenyl)phenyl]-2,8-bis(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)phenoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC(=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)OC8=C3C=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations