Geometry & MOs

Info

ID:	22462
PubChem CID:	597294
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-100.5
Dipole, Da:	3.75
IP(EA), eV:	-8.81(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,5-diethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(N1)CC)C(=O)OCC

DOS

IR

Vibrations