Geometry & MOs

Info

ID:	1082
PubChem CID:	3764
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	3.6
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-7-methoxychromen-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O

DOS

IR

Vibrations