Geometry & MOs

Info

ID:	394023
PubChem CID:	135022179
Reduced:	BrO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	1.88
IP(EA), eV:	-8.4(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations