Geometry & MOs

Info

ID:	396220
PubChem CID:	135027736
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	282.101585
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	4.98
IP(EA), eV:	-9.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4S,5R)-3-(4-fluorophenyl)-5-methyl-4-nitropyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations