Geometry & MOs

Info

ID:	191343
PubChem CID:	78134235
Reduced:	SiO4C27H33 (2)
Stoich.:	AB4C27D33 (2)
Weight, g/mol:	343.98238
ΔH_f, kcal/mol:	-316.59
Dipole, Da:	6.14
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-3-(3,5-difluorophenyl)prop-2-enyl]-3,5-difluorobenzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(C(C(C(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=C(C=C5)OC)O)O)OCC6=CC=C(C=C6)OC

DOS

IR

Vibrations