Geometry & MOs

Info

ID:	427363
PubChem CID:	135157660
Reduced:	ClFN2O5C26H28 (1)
Stoich.:	ABC2D5E26F28 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-217.69
Dipole, Da:	1.41
IP(EA), eV:	-9.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-methylpentan-2-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCO)C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)C3=NC=C(O3)C

DOS

IR

Vibrations