Geometry & MOs

Info

ID:	431457
PubChem CID:	135171537
Reduced:	NOH20C33 (2)
Stoich.:	ABC20D33 (2)
Weight, g/mol:	388.162729
ΔH_f, kcal/mol:	237.4
Dipole, Da:	2.35
IP(EA), eV:	-7.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-fluorofluorene

Drug info:

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC(=C8)C9=CC(=CC=C9)C1=CC=CC2=C1OC1=C2C=CC2=C1OC1=CC=CC=C21)C1=CC=CC=C13

DOS

IR

Vibrations