Geometry & MOs

Info

ID:	430462
PubChem CID:	135170526
Reduced:	ClNF3O3H15C16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	205.014185
ΔH_f, kcal/mol:	-264.65
Dipole, Da:	6.64
IP(EA), eV:	-9.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OC1C(C(=O)C=C1C)CC2=CC(=C(C=N2)Cl)C(F)(F)F

DOS

IR

Vibrations