Geometry & MOs

Info

ID:	430650
PubChem CID:	135170716
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-92.85
Dipole, Da:	2.08
IP(EA), eV:	-9.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(N(C1=O)C)O

DOS

IR

Vibrations