Geometry & MOs

Info

ID:	297497
PubChem CID:	117619068
Reduced:	NO11C33H51 (1)
Stoich.:	AB11C33D51 (1)
Weight, g/mol:	369.215138
ΔH_f, kcal/mol:	-530.22
Dipole, Da:	9.02
IP(EA), eV:	-9.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-2-[2-(2-oxopyrrolidin-1-yl)propyl]hexyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CCC(C1C(C(=O)OC1=O)C(C)(CCC(C)C(=O)OCCCCCC(C)C)C(=O)OCCOC(=O)CC(=O)C)N2CCCC2=O

DOS

IR

Vibrations