Geometry & MOs

Info

ID:	145743
PubChem CID:	53586164
Reduced:	SO2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	45.17
Dipole, Da:	3.88
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(=O)CC2=NOC(=N2)CCC3=CSC=N3

DOS

IR

Vibrations