Geometry & MOs

Info

ID:	55300
PubChem CID:	17390025
Reduced:	ClO2N3C5H8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	176.058578
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	2.26
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=NN1)N.Cl

DOS

IR

Vibrations