Geometry & MOs

Info

ID:	403795
PubChem CID:	135061923
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-124.3
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C1=CC=CC=C1)/NC2=CN(C(=C2)C(=O)OCC)C

DOS

IR

Vibrations