Geometry & MOs

Info

ID:	5407
PubChem CID:	13115
Reduced:	BrFOH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	382.03686
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	3.07
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)F)Br)C3=CC=CC=C3

DOS

IR

Vibrations