Geometry & MOs

Info

ID:	327686
PubChem CID:	126690745
Reduced:	BrN2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	454.081931
ΔH_f, kcal/mol:	46.66
Dipole, Da:	2.89
IP(EA), eV:	-8.42(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(chloromethyl)-3'-(hydroxymethoxymethoxy)-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

C1C=CC2=C(N1)NC=C2Br

DOS

IR

Vibrations