Geometry & MOs

Info

ID:	26283
PubChem CID:	643557
Reduced:	O8C25H32 (1)
Stoich.:	A8B25C32 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	-334.74
Dipole, Da:	4.85
IP(EA), eV:	-8.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethoxy-4-phenylisochromen-1-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H](CCC1=CC(=C(C=C1)O)OC)C[C@H](CCC2=CC(=C(C=C2)O)OC)OC(=O)C

DOS

IR

Vibrations