Geometry & MOs

Info

ID:	394069
PubChem CID:	135022286
Reduced:	SO3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	436.06741
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	1.56
IP(EA), eV:	-8.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(1,3-diphenylprop-2-ynoxymethyl)-4,5-dimethoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C\2C(=C1)COC/C2=C\C3=CC=CS3)OC

DOS

IR

Vibrations