Geometry & MOs

Info

ID:	23141
PubChem CID:	602425
Reduced:	O7C19H20 (1)
Stoich.:	A7B19C20 (1)
Weight, g/mol:	360.120903
ΔH_f, kcal/mol:	-213.26
Dipole, Da:	2.35
IP(EA), eV:	-8.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-3-hydroxy-7,8-dimethoxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(C(=O)C3=C(O2)C(=C(C=C3)OC)OC)O)OC

DOS

IR

Vibrations