Geometry & MOs

Info

ID:	430434
PubChem CID:	135170498
Reduced:	ClF2N2H5C6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	3.54
IP(EA), eV:	-10.64(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C(F)(F)Cl

DOS

IR

Vibrations