Geometry & MOs

Info

ID:	314146
PubChem CID:	126620590
Reduced:	NOH41C57 (1)
Stoich.:	ABC41D57 (1)
Weight, g/mol:	749.30825
ΔH_f, kcal/mol:	189.44
Dipole, Da:	4.2
IP(EA), eV:	-8.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(4-phenylphenyl)phenyl]-3,5-dinaphthalen-1-ylindole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=C(C=C2)N3C=C(C4=C3C=CC(=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations