Geometry & MOs

Info

ID:	430654
PubChem CID:	135170720
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	2.9
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OC1C=C(C(=O)N1C)C2=CC=CC=C2

DOS

IR

Vibrations