Geometry & MOs

Info

ID:	372060
PubChem CID:	131292730
Reduced:	SO3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	3.49
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(bromomethyl)-3,3-dimethyl-2H-pyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC2=C(S1)CCC2)O

DOS

IR

Vibrations