Geometry & MOs

Info

ID:	399004
PubChem CID:	135036962
Reduced:	SC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	0.95
IP(EA), eV:	-8.1(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-(4-ethoxybutoxymethyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC/C(=C/SC)/C1=CC=C(C=C1)C

DOS

IR

Vibrations