Geometry & MOs

Info

ID:	357108
PubChem CID:	127293334
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	350.192961
ΔH_f, kcal/mol:	28.27
Dipole, Da:	6.36
IP(EA), eV:	-8.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations