Geometry & MOs

Info

ID:	394090
PubChem CID:	135022312
Reduced:	BrO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-20.43
Dipole, Da:	1.6
IP(EA), eV:	-8.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6,7-dimethoxy-4-[(3-methylphenyl)methylidene]-1H-isochromene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C#CCOCC2=CC(=C(C=C2Br)OC)OC

DOS

IR

Vibrations