Geometry & MOs

Info

ID:	12432
PubChem CID:	137483
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	4.18
IP(EA), eV:	-8.81(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations