Geometry & MOs

Info

ID:	313119
PubChem CID:	126612076
Reduced:	NO3H29C48 (1)
Stoich.:	AB3C29D48 (1)
Weight, g/mol:	651.256215
ΔH_f, kcal/mol:	119.88
Dipole, Da:	3.41
IP(EA), eV:	-7.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexa-2,4-dien-1-yl-8-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC(=C4)C5=CC=CC6=C5OC7=CC=CC=C67)OC8=C3C=C(C=C8)C9=CC=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations