Geometry & MOs

Info

ID:	395960
PubChem CID:	135027029
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	2.72
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2[C@H]([C@@H]([C@H](N2)C(=O)OC(C)(C)C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations