Geometry & MOs

Info

ID:	357311
PubChem CID:	127293944
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	2.95
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3(CCOCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations