Geometry & MOs

Info

ID:	394070
PubChem CID:	135022287
Reduced:	BrO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	358.156895
ΔH_f, kcal/mol:	1.56
Dipole, Da:	1.08
IP(EA), eV:	-8.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-benzylidene-6,7-dimethoxy-3-phenyl-1H-isochromene

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)COC(C#CC2=CC=CC=C2)C3=CC=CC=C3)Br)OC

DOS

IR

Vibrations