Geometry & MOs

Info

ID:	376839
PubChem CID:	134222868
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	434.172939
ΔH_f, kcal/mol:	41.33
Dipole, Da:	2.62
IP(EA), eV:	-8.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6'-hydroxyspiro[1H-2-benzofuran-3,9'-xanthene]-3'-yl)oxyhexane-2,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/N=C\2/C3=C(C=CC2=O)C=C(C=C3)C

DOS

IR

Vibrations