Geometry & MOs

Info

ID:	55155
PubChem CID:	17389832
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	4.0
IP(EA), eV:	-8.83(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-pyrrol-1-ylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)OCC)N1C=CC=C1

DOS

IR

Vibrations