Geometry & MOs

Info

ID:	10092
PubChem CID:	97142
Reduced:	O7H18C19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	358.105253
ΔH_f, kcal/mol:	-206.14
Dipole, Da:	5.11
IP(EA), eV:	-8.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC

DOS

IR

Vibrations