Geometry & MOs

Info

ID:	7049
PubChem CID:	71069
Reduced:	O7H18C19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	358.105253
ΔH_f, kcal/mol:	-214.29
Dipole, Da:	3.45
IP(EA), eV:	-8.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C(=C3C(=CC(=CC3=O)OC)O2)O)OC)OC

DOS

IR

Vibrations