Geometry & MOs

Info

ID:	324953
PubChem CID:	126678904
Reduced:	F2O2N6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	450.106351
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	6.41
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(5-fluoro-2-methoxypyridin-4-yl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCCCOC1=NC=C(C=C1)C2=CC(=C(C(=C2)F)COC3=CC(=NC4=NNN=C34)N)F

DOS

IR

Vibrations