Geometry & MOs

Info

ID:	394072
PubChem CID:	135022289
Reduced:	BrO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	388.167459
ΔH_f, kcal/mol:	4.94
Dipole, Da:	0.94
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C#CC(C2=CC=CC=C2)OCC3=CC(=C(C=C3Br)OC)OC

DOS

IR

Vibrations