Geometry & MOs

Info

ID:	25986
PubChem CID:	635280
Reduced:	PH25C34 (1)
Stoich.:	AB25C34 (1)
Weight, g/mol:	463.80813
ΔH_f, kcal/mol:	141.09
Dipole, Da:	1.26
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(P(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations