Geometry & MOs

Info

ID:	5961
PubChem CID:	14189
Reduced:	BrFOH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	382.03686
ΔH_f, kcal/mol:	-1.33
Dipole, Da:	2.28
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-2-(3-fluorophenyl)-1-phenylethenyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations