Geometry & MOs

Info

ID:	430504
PubChem CID:	135170570
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-160.5
Dipole, Da:	4.78
IP(EA), eV:	-9.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)OC1C(=CC(=O)N1C)C

DOS

IR

Vibrations