Geometry & MOs

Info

ID:	319197
PubChem CID:	126655290
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	516.192131
ΔH_f, kcal/mol:	6.99
Dipole, Da:	3.45
IP(EA), eV:	-9.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=NN2)C

DOS

IR

Vibrations