Geometry & MOs

Info

ID:	430682
PubChem CID:	135170748
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-179.51
Dipole, Da:	5.44
IP(EA), eV:	-9.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1OC(=O)OC(C)(C)C)C

DOS

IR

Vibrations