Geometry & MOs

Info

ID:	156011
PubChem CID:	56368750
Reduced:	ClN2F3O3H18C21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-219.24
Dipole, Da:	4.28
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-methylamino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCC(C2=CC=CC=C2C(F)(F)F)O)Cl)N3C=CC=C3

DOS

IR

Vibrations