Geometry & MOs

Info

ID:	318744
PubChem CID:	126653018
Reduced:	OH34C55 (1)
Stoich.:	AB34C55 (1)
Weight, g/mol:	435.02588
ΔH_f, kcal/mol:	240.81
Dipole, Da:	1.53
IP(EA), eV:	-8.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromospiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC=C5C4C6C(=C3)C=CC=C6C(=C5)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=C1C1=CC=CC=C1O2

DOS

IR

Vibrations