Geometry & MOs

Info

ID:	403793
PubChem CID:	135061921
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	0.88
IP(EA), eV:	-8.28(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,5-dimethyl-7-oxo-4H-pyrrolo[3,2-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CN=C21)N3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations