Geometry & MOs

Info

ID:	298406
PubChem CID:	117649209
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	758.272199
ΔH_f, kcal/mol:	-209.3
Dipole, Da:	4.43
IP(EA), eV:	-8.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-benzo[a]anthracen-7-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)OC)C(=O)C)O)O

DOS

IR

Vibrations