Geometry & MOs

Info

ID:	387451
PubChem CID:	134985431
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	3.77
IP(EA), eV:	-10.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S)-1-[(1S)-2-nitro-1-phenylethyl]-2-oxocyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C[N+](=O)[O-])C(C(=O)C)C(=O)C

DOS

IR

Vibrations