Geometry & MOs

Info

ID:	308082
PubChem CID:	125316882
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	277.91077
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	5.9
IP(EA), eV:	-9.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-iodo-3H-pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C[C@]([C@@H]([C@@H]2C3=CC=C(C=C3)Cl)C(=O)C)(C)O)N=N1

DOS

IR

Vibrations