Geometry & MOs

Info

ID:	125637
PubChem CID:	50930612
Reduced:	ZrO8F12C20H20 (1)
Stoich.:	AB8C12D20E20 (1)
Weight, g/mol:	160.023042
ΔH_f, kcal/mol:	-979.43
Dipole, Da:	2.74
IP(EA), eV:	-6.27(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;(E)-but-2-ene;prop-1-ene

Drug info:

PubChemData

Smile

CC(=O)/C=C(\O)/C(F)(F)F.CC(=O)/C=C(\O)/C(F)(F)F.CC(=O)/C=C(\O)/C(F)(F)F.CC(=O)/C=C(\O)/C(F)(F)F.[Zr]

DOS

IR

Vibrations