Geometry & MOs

Info

ID:	430528
PubChem CID:	135170594
Reduced:	NO2F3C6H6 (1)
Stoich.:	AB2C3D6E6 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-224.33
Dipole, Da:	4.29
IP(EA), eV:	-10.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

CN1C(C=C(C1=O)C(F)(F)F)O

DOS

IR

Vibrations