Geometry & MOs

Info

ID:	314189
PubChem CID:	126620831
Reduced:	NSH43C53 (1)
Stoich.:	ABC43D53 (1)
Weight, g/mol:	674.272199
ΔH_f, kcal/mol:	234.58
Dipole, Da:	6.76
IP(EA), eV:	-7.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-phenyl-3,5-bis(4-phenylphenyl)indol-1-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CS(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=C(C=C5)C6=CC=CC=C6)C(=C3C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations