Geometry & MOs

Info

ID:	16245
PubChem CID:	462695
Reduced:	O7C19H20 (1)
Stoich.:	A7B19C20 (1)
Weight, g/mol:	360.120903
ΔH_f, kcal/mol:	-225.42
Dipole, Da:	5.48
IP(EA), eV:	-8.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-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=C3OC)OC)O)OC

DOS

IR

Vibrations