Geometry & MOs

Info

ID:	395959
PubChem CID:	135027028
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-64.27
Dipole, Da:	4.56
IP(EA), eV:	-9.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations