Geometry & MOs

Info

ID:	12433
PubChem CID:	137484
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	4.43
IP(EA), eV:	-8.54(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C)C

DOS

IR

Vibrations