Geometry & MOs

Info

ID:	226945
PubChem CID:	87559129
Reduced:	ZrO6F8C22H28 (1)
Stoich.:	AB6C8D22E28 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-667.43
Dipole, Da:	3.46
IP(EA), eV:	-9.02(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4,4-dimethyl-5-oxopentanamide

Drug info:

PubChemData

Smile

CCO.CCO.COCC1=C(C(=C(C(=C1F)F)CO)F)F.COCC1=C(C(=C(C(=C1F)F)CO)F)F.[Zr]

DOS

IR

Vibrations