Geometry & MOs

Info

ID:	404497
PubChem CID:	135066556
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	2.4
IP(EA), eV:	-8.41(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2-cyanoethyl)pyrrol-1-yl]pentanoate

Drug info:

PubChemData

Smile

CCCCC1=CC=CN1C(C)CCC(=O)OCC

DOS

IR

Vibrations