Geometry & MOs

Info

ID:	407488
PubChem CID:	135080233
Reduced:	N4H8C13 (1)
Stoich.:	A4B8C13 (1)
Weight, g/mol:	239.046154
ΔH_f, kcal/mol:	156.04
Dipole, Da:	4.5
IP(EA), eV:	-9.32(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C2=[N+]=[N-])C=CC=N3

DOS

IR

Vibrations