Geometry & MOs

Info

ID:	430649
PubChem CID:	135170715
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	5.53
IP(EA), eV:	-9.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-hydroxy-1-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H](CN1C(=O)O)O)CC2=CC=CC=C2

DOS

IR

Vibrations