Geometry & MOs

Info

ID:	394088
PubChem CID:	135022310
Reduced:	BrO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	352.203845
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	1.5
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6,7-dimethoxy-3-(4-methylphenyl)-4-pentylidene-1H-isochromene

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=C(C=C1)C)OCC2=CC(=C(C=C2Br)OC)OC

DOS

IR

Vibrations