Geometry & MOs

Info

ID:	448267
PubChem CID:	135289786
Reduced:	OF3N6H17C20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	322.032062
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	3.27
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(F)(F)F)C2=CC3=C(N2CNC(=O)C4=NC=NN4)N=CC=C3

DOS

IR

Vibrations