Geometry & MOs

Info

ID:	413882
PubChem CID:	135086833
Reduced:	BrF3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	236.08373
ΔH_f, kcal/mol:	-202.59
Dipole, Da:	1.21
IP(EA), eV:	-10.0(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-1,4-diphenylbut-3-yn-2-one

Drug info:

PubChemData

Smile

C(CCC/C=C/CCCC(F)(F)F)CCCBr

DOS

IR

Vibrations