Geometry & MOs

Info

ID:	430534
PubChem CID:	135170600
Reduced:	BrNO4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	3.95
IP(EA), eV:	-10.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C=C(C1=O)Br)OC(=O)OC

DOS

IR

Vibrations