Geometry & MOs

Info

ID:	316811
PubChem CID:	126631803
Reduced:	NH25C32 (1)
Stoich.:	AB25C32 (1)
Weight, g/mol:	545.21435
ΔH_f, kcal/mol:	106.3
Dipole, Da:	2.11
IP(EA), eV:	-8.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=CC5=C4N(C6=CC7=CC=CC=C7C=C56)C)C

DOS

IR

Vibrations