Geometry & MOs

Info

ID:	65069
PubChem CID:	29204425
Reduced:	ISN3O4C17H20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	5.22
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-[(1R,2S,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSCC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations