Geometry & MOs

Info

ID:	317395
PubChem CID:	126637206
Reduced:	ClFNO3C24H35 (1)
Stoich.:	ABCD3E24F35 (1)
Weight, g/mol:	731.304896
ΔH_f, kcal/mol:	-207.48
Dipole, Da:	5.4
IP(EA), eV:	-8.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E,5E)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)hepta-1,3,5-trien-4-yl]-3,7-diphenylindolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](C1)CC(C)(C)COC2=C(C=C(C(=C2)F)N(C)[C@@H]3CCC[C@H]3C(=O)O)Cl

DOS

IR

Vibrations