Geometry & MOs

Info

ID:	5406
PubChem CID:	13114
Reduced:	BrFOH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	382.03686
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	1.94
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2F)Br)C3=CC=CC=C3

DOS

IR

Vibrations