Geometry & MOs

Info

ID:	79760
PubChem CID:	49830276
Reduced:	OF2N3H13C20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	2.7
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2C=C(C=N3)NC(=O)C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations