Geometry & MOs

Info

ID:	324378
PubChem CID:	126677544
Reduced:	ClFN3O3C23H27 (1)
Stoich.:	ABC3D3E23F27 (1)
Weight, g/mol:	440.125133
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	2.84
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)(C)C)OCC2=NN(C3=C2C=CC(=N3)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations