Geometry & MOs

Info

ID:	171397
PubChem CID:	75371804
Reduced:	SN2O2F3C11H15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-226.03
Dipole, Da:	3.84
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-dihydroisoindole-2-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC(CSCC1=NC=CN1CC(F)(F)F)C(=O)OC

DOS

IR

Vibrations