Geometry & MOs

Info

ID:	430684
PubChem CID:	135170750
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-163.79
Dipole, Da:	1.65
IP(EA), eV:	-10.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations