Geometry & MOs

Info

ID:	314155
PubChem CID:	126620702
Reduced:	NH47C67 (1)
Stoich.:	AB47C67 (1)
Weight, g/mol:	587.224915
ΔH_f, kcal/mol:	252.71
Dipole, Da:	3.09
IP(EA), eV:	-8.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dibenzofuran-2-yl-3,5-bis(4-phenylphenyl)indole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C=C(C5=C4C=CC(=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=CC9=CC=CC=C98)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations