Geometry & MOs

Info

ID:	379568
PubChem CID:	134445687
Reduced:	FO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	817.320546
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	4.44
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4a,9a-dihydrocarbazol-9-yl)-2,5-di(carbazol-9-yl)-6-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C1N=CC(=C2)NC(=O)OCC3=CC(=CC=C3)F)C4=CC(=CC=C4)N

DOS

IR

Vibrations