Geometry & MOs

Info

ID:	161279
PubChem CID:	57391237
Reduced:	O8H18C19 (1)
Stoich.:	A8B18C19 (1)
Weight, g/mol:	387.131802
ΔH_f, kcal/mol:	-224.19
Dipole, Da:	7.32
IP(EA), eV:	-8.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(5-amino-2,4-dimethoxyphenyl)methylidene]-5,6,7-trimethoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)/C=C\2/C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)O)O

DOS

IR

Vibrations