Geometry & MOs

Info

ID:	297288
PubChem CID:	117614518
Reduced:	BrClF2N2O2H12C16 (1)
Stoich.:	ABC2D2E2F12G16 (1)
Weight, g/mol:	630.278347
ΔH_f, kcal/mol:	-112.42
Dipole, Da:	5.75
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-(1,3,6,8-tetramethylcarbazol-9-yl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(=C)NC1=CC(=NC(=C1Cl)C(=O)OC)C2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations