Geometry & MOs

Info

ID:	205893
PubChem CID:	80173594
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	229.150036
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	4.83
IP(EA), eV:	-9.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[2-(sulfanylmethyl)pentyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1CC(=O)N(C1)CC2=CC(=C(O2)C)C(=O)NN

DOS

IR

Vibrations