Geometry & MOs

Info

ID:	4260
PubChem CID:	11062
Reduced:	O3H6C8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	300.063388
ΔH_f, kcal/mol:	-169.03
Dipole, Da:	5.66
IP(EA), eV:	-8.71(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-7-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C(=COC2=CC1=O)C3=CC=C(C=C3)O)O)O

DOS

IR

Vibrations