Geometry & MOs

Info

ID:	11646
PubChem CID:	118460
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	1.96
IP(EA), eV:	-8.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C(=CN1C)C)C(=O)OCC

DOS

IR

Vibrations