Geometry & MOs

Info

ID:	319498
PubChem CID:	126656387
Reduced:	ON2H52C60 (1)
Stoich.:	AB2C52D60 (1)
Weight, g/mol:	525.209264
ΔH_f, kcal/mol:	163.97
Dipole, Da:	3.4
IP(EA), eV:	-7.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(9,9-dimethylfluoren-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1CC=C(C=C1)N(C2=CC=C(C=C2)C3=C4C5=CC=CC=C5N(C4=C6C(=C3)C7=C(O6)CC(C=C7)C)C8=CC=C(C=C8)C9=CC=CCC9C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C

DOS

IR

Vibrations