Geometry & MOs

Info

ID:	18437
PubChem CID:	540924
Reduced:	O5C12H13 (2)
Stoich.:	A5B12C13 (2)
Weight, g/mol:	474.152597
ΔH_f, kcal/mol:	-343.63
Dipole, Da:	3.29
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-5-[1-hydroxy-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxochromen-2-yl)ethyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C(=C(C(=C2OC)OC)OC)OC)CC(C3=CC(=CC(=C3)OC(=O)C)O)O

DOS

IR

Vibrations