Geometry & MOs

Info

ID:	430525
PubChem CID:	135170591
Reduced:	NSC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	11.98
Dipole, Da:	3.23
IP(EA), eV:	-9.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

CCCC1=NSC(=C1)C

DOS

IR

Vibrations