Geometry & MOs

Info

ID:	394071
PubChem CID:	135022288
Reduced:	O3H22C24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	450.08306
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	1.59
IP(EA), eV:	-8.29(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4,5-dimethoxy-2-[[3-(3-methylphenyl)-1-phenylprop-2-ynoxy]methyl]benzene

Drug info:

PubChemData

Smile

COC1=C(C=C\2C(=C1)COC(/C2=C\C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations