Geometry & MOs

Info

ID:	314151
PubChem CID:	126620696
Reduced:	NH39C55 (1)
Stoich.:	AB39C55 (1)
Weight, g/mol:	589.240565
ΔH_f, kcal/mol:	207.97
Dipole, Da:	2.96
IP(EA), eV:	-8.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]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=CC8=CC=CC=C87)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations