Geometry & MOs

Info

ID:	430681
PubChem CID:	135170747
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-133.78
Dipole, Da:	4.3
IP(EA), eV:	-9.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1,3-dimethyl-5-oxo-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

CCCC(=O)OC1C(=CC(=O)N1C)CC

DOS

IR

Vibrations