Geometry & MOs

Info

ID:	404787
PubChem CID:	135070920
Reduced:	O7C20H20 (1)
Stoich.:	A7B20C20 (1)
Weight, g/mol:	388.115818
ΔH_f, kcal/mol:	-247.28
Dipole, Da:	4.47
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3,4-dihydroxy-2-methoxyphenyl)-6-methoxy-2-oxo-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=C(C=CC(=C2)C)OC1=O)C3=C(C(=C(C=C3)O)O)OC

DOS

IR

Vibrations