Geometry & MOs

Info

ID:	392606
PubChem CID:	135017333
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	2.49
IP(EA), eV:	-9.01(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-hexyl-5-hydroxy-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C(=C\C(=O)OC)/C2=CC=CC=C2

DOS

IR

Vibrations