Geometry & MOs

Info

ID:	407449
PubChem CID:	135080156
Reduced:	PSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-128.91
Dipole, Da:	2.27
IP(EA), eV:	-9.12(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate

Drug info:

PubChemData

Smile

CCOP(=S)(C(C)(C)C#C)OCC

DOS

IR

Vibrations