Geometry & MOs

Info

ID:	396016
PubChem CID:	135027203
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-68.94
Dipole, Da:	2.7
IP(EA), eV:	-9.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,4S,5R)-4-nitro-3,5-diphenylpyrrolidine-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