Geometry & MOs

Info

ID:	449774
PubChem CID:	135301326
Reduced:	O2F4N5H15C24 (1)
Stoich.:	A2B4C5D15E24 (1)
Weight, g/mol:	196.069971
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	9.92
IP(EA), eV:	-10.22(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-2-methylbut-3-yn-1-ol

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)F)C3=NN=NN31)(C(C4=NC=C(C=C4)C#CC(C5=CC(=CC=C5)F)O)(F)F)O

DOS

IR

Vibrations