Geometry & MOs

Info

ID:	5566
PubChem CID:	13340
Reduced:	BrFOH20C27 (1)
Stoich.:	ABCD20E27 (1)
Weight, g/mol:	458.06816
ΔH_f, kcal/mol:	25.7
Dipole, Da:	3.1
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=C(C3=CC(=CC=C3)F)Br)C4=CC=CC=C4

DOS

IR

Vibrations