Geometry & MOs

Info

ID:	442560
PubChem CID:	135252963
Reduced:	N8H20C21 (1)
Stoich.:	A8B20C21 (1)
Weight, g/mol:	325.15904
ΔH_f, kcal/mol:	173.09
Dipole, Da:	4.65
IP(EA), eV:	-8.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(=C(C=N3)C#N)C(=N2)C4=CN=C(C=C4)N5CCCCC5

DOS

IR

Vibrations