Geometry & MOs

Info

ID:	430482
PubChem CID:	135170546
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	2.9
IP(EA), eV:	-9.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(N(C1=O)C)OC(=O)C2CC2

DOS

IR

Vibrations