Geometry & MOs

Info

ID:	448265
PubChem CID:	135289743
Reduced:	ClN2O2F3H8C15 (1)
Stoich.:	AB2C2D3E8F15 (1)
Weight, g/mol:	242.061076
ΔH_f, kcal/mol:	-176.44
Dipole, Da:	6.96
IP(EA), eV:	-9.63(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(N2C(=O)O)N=C(C=C3)Cl

DOS

IR

Vibrations