Geometry & MOs

Info

ID:	5409
PubChem CID:	13117
Reduced:	BrF3H14C21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	402.0231
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	3.63
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromo-2,2-diphenylethenyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations