Geometry & MOs

Info

ID:	396219
PubChem CID:	135027735
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	3.96
IP(EA), eV:	-9.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4S,5R)-3-(4-methylphenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C[N+](=O)[O-])[C@@H](C(=O)OC(C)(C)C)N=C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations