Geometry & MOs

Info

ID:	44576
PubChem CID:	10504159
Reduced:	BrOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	460.136947
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	3.88
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC5C(C4)(C5(Br)Br)OC

DOS

IR

Vibrations