Geometry & MOs

Info

ID:	411911
PubChem CID:	135084767
Reduced:	Br3F3H4C9 (1)
Stoich.:	A3B3C4D9 (1)
Weight, g/mol:	222.140851
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	2.26
IP(EA), eV:	-10.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(2-ethynylcyclohexen-1-yl)prop-1-en-2-yl]benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C=C(Br)Br)Br

DOS

IR

Vibrations