Geometry & MOs

Info

ID:	347963
PubChem CID:	127273025
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	350.192961
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	4.37
IP(EA), eV:	-8.28(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CC(=O)N(C1)C)N2CCN(CC2)C

DOS

IR

Vibrations