Geometry & MOs

Info

ID:	226908
PubChem CID:	87558890
Reduced:	ClNiC4H8 (1)
Stoich.:	ABC4D8 (1)
Weight, g/mol:	280.015885
ΔH_f, kcal/mol:	48.39
Dipole, Da:	1.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.758255
Charge, e:	0

Chem-info

IUPAC name:

but-2-ynyl (2,3,4,5,6-pentafluorophenyl) carbonate

Drug info:

PubChemData

Smile

CC(=C)[CH2-].Cl.[Ni]

DOS

IR

Vibrations