Geometry & MOs

Info

ID:	407570
PubChem CID:	135080318
Reduced:	BrO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	224.071641
ΔH_f, kcal/mol:	-154.41
Dipole, Da:	2.97
IP(EA), eV:	-10.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-chloro-3H-pyrrolo[3,2-b]pyridin-2-one

Drug info:

PubChemData

Smile

CCCCCCCC(CCCC(=O)OCC)Br

DOS

IR

Vibrations