Geometry & MOs

Info

ID:

313153

PubChem CID:

126612261

Reduced:

NOH53C74 (1)

Stoich.:

ABC53D74 (1)

Weight, g/mol:

1203.537916

ΔHf, kcal/mol:

229.58

Dipole, Da:

3.37

IP(EA), eV:

 -7.72(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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)-10-(2,4,6-triphenylphenyl)phenoxazine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=C(C=C3)C4=CC5=C(C=C4)OC6=C(N5C7=C(C=C(C=C7C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C=C(C=C6)C1=CC3=C(C=C1)C1=C(C3(C)C)C=CC3=CC=CC=C31)C1=CC=CC=C1C=C2)C

DOS

IR

Vibrations