Geometry & MOs

Info

ID:	48588
PubChem CID:	11108729
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-196.33
Dipole, Da:	2.47
IP(EA), eV:	-8.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-1-[(E)-2-phenylethenyl]-1,4-dihydroisochromen-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C(=O)CC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations