Geometry & MOs

Info

ID:	226585
PubChem CID:	87544248
Reduced:	F3N4O5H7C14 (1)
Stoich.:	A3B4C5D7E14 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	10.6
IP(EA), eV:	-9.16(-2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-tert-butyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C(F)(F)F)C2=N/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/NO2

DOS

IR

Vibrations