Geometry & MOs

Info

ID:	319983
PubChem CID:	126657729
Reduced:	OF2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	379.99393
ΔH_f, kcal/mol:	-235.14
Dipole, Da:	0.71
IP(EA), eV:	-9.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(2-cyclobutylethynyl)phenyl]pyrazol-1-yl]-iodophosphane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C(CF)(C(F)(F)F)O

DOS

IR

Vibrations