Geometry & MOs

Info

ID:	313136
PubChem CID:	126612146
Reduced:	NOS2H33C46 (1)
Stoich.:	ABC2D33E46 (1)
Weight, g/mol:	947.412715
ΔH_f, kcal/mol:	129.21
Dipole, Da:	5.71
IP(EA), eV:	-7.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2,6-bis(4-phenylphenyl)phenyl]-2,8-bis(9,9-dimethylfluoren-2-yl)phenoxazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C4C(=C3)C5=C(S4)C=C(C=C5)C6=CC=CC=C6)OC7=C2C=C8C9=C(C=C(C=C9)C1=CC=CC=C1)SC8=C7

DOS

IR

Vibrations