Geometry & MOs

Info

ID:	64468
PubChem CID:	29200952
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	9.59
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-oxo-1-phenyl-N-[2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations