Geometry & MOs

Info

ID:	377487
PubChem CID:	134223542
Reduced:	ON2C8H18 (1)
Stoich.:	AB2C8D18 (1)
Weight, g/mol:	844.320212
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	3.2
IP(EA), eV:	-9.32(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC(C)(C)CNC(CN)C=O

DOS

IR

Vibrations