Geometry & MOs

Info

ID:	85120
PubChem CID:	49871896
Reduced:	F3N3O3H22C36 (1)
Stoich.:	A3B3C3D22E36 (1)
Weight, g/mol:	291.11201
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	6.66
IP(EA), eV:	-9.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-(3-methyl-2H-indazol-5-yl)-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F

DOS

IR

Vibrations