Geometry & MOs

Info

ID:	430659
PubChem CID:	135170725
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-137.51
Dipole, Da:	2.57
IP(EA), eV:	-9.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)OC1C=C(C(=O)N1C)C(C)C

DOS

IR

Vibrations