Geometry & MOs

Info

ID:	69370
PubChem CID:	46530877
Reduced:	O2F4N5H11C16 (1)
Stoich.:	A2B4C5D11E16 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-149.74
Dipole, Da:	4.9
IP(EA), eV:	-9.06(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC=C3F)C(F)(F)F

DOS

IR

Vibrations