Geometry & MOs

Info

ID:	12466
PubChem CID:	138346
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-108.28
Dipole, Da:	3.58
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C)C(=O)OCC)C

DOS

IR

Vibrations