Geometry & MOs

Info

ID:	158874
PubChem CID:	57244123
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	321.121237
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	4.05
IP(EA), eV:	-10.07(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-(3-phenylpropanoylperoxycarbonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C=CCCCCCCCCCC(C(=O)O)N=O

DOS

IR

Vibrations