Geometry & MOs

Info

ID:	430676
PubChem CID:	135170742
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	4.41
IP(EA), eV:	-9.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-5-oxo-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations