Geometry & MOs

Info

ID:	430574
PubChem CID:	135170640
Reduced:	ON2F3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-143.69
Dipole, Da:	3.85
IP(EA), eV:	-9.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C2=C(C=CN=C2)OC)C(F)(F)F

DOS

IR

Vibrations