Geometry & MOs

Info

ID:	122053
PubChem CID:	50791291
Reduced:	O2F3N4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	400.095866
ΔH_f, kcal/mol:	-172.31
Dipole, Da:	7.54
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC1=NC2=C(C(=NN2C3=CC=C(C=C3)C)C)C(=C1)C(F)(F)F

DOS

IR

Vibrations