Geometry & MOs

Info

ID:	68612
PubChem CID:	46508765
Reduced:	ClON5H24C28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	107.91
Dipole, Da:	3.08
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylfuran-3-yl)-N-[1-(2-fluorophenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations