Geometry & MOs

Info

ID:	185646
PubChem CID:	77324625
Reduced:	ClF3O3N5C12H13 (1)
Stoich.:	AB3C3D5E12F13 (1)
Weight, g/mol:	449.160515
ΔH_f, kcal/mol:	-167.24
Dipole, Da:	3.49
IP(EA), eV:	-9.54(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCC(=O)NC1C(C(NN1)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations