Geometry & MOs

Info

ID:	127088
PubChem CID:	50990416
Reduced:	O7C27H44 (1)
Stoich.:	A7B27C44 (1)
Weight, g/mol:	196.003955
ΔH_f, kcal/mol:	-369.14
Dipole, Da:	9.67
IP(EA), eV:	-10.03(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]([C@@H]2C1[C@]3(CCC4C([C@H]3C2=O)[C@H]([C@@H]([C@@H]5[C@@]4([C@@H]([C@@H]([C@H](C5)O)O)O)C)O)O)C)(CC(C)C)O

DOS

IR

Vibrations