Geometry & MOs

Info

ID:	448264
PubChem CID:	135289730
Reduced:	FH3C4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	340.02264
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	3.99
IP(EA), eV:	-9.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C#CC1=C(C=CC(=C1)C2CC2)C(F)(F)F

DOS

IR

Vibrations