Geometry & MOs

Info

ID:	322113
PubChem CID:	126668694
Reduced:	SO2N4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	243.087098
ΔH_f, kcal/mol:	-54.11
Dipole, Da:	6.21
IP(EA), eV:	-8.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CS(=O)N1CCC(CC1)NC2=NC=CC(=O)N2

DOS

IR

Vibrations