Geometry & MOs

Info

ID:	17415
PubChem CID:	497231
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	8.92
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2,4-dihydroxychromen-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(OC3=CC(=O)C=CC3=C2O)O

DOS

IR

Vibrations