Geometry & MOs

Info

ID:	122054
PubChem CID:	50791295
Reduced:	O2N4F5H13C17 (1)
Stoich.:	A2B4C5D13E17 (1)
Weight, g/mol:	438.131503
ΔH_f, kcal/mol:	-247.1
Dipole, Da:	1.47
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)OCC(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F)C

DOS

IR

Vibrations