Geometry & MOs

Info

ID:	324952
PubChem CID:	126678901
Reduced:	OF2N7H13C17 (1)
Stoich.:	AB2C7D13E17 (1)
Weight, g/mol:	426.16158
ΔH_f, kcal/mol:	16.18
Dipole, Da:	7.08
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(6-butoxypyridin-3-yl)-2,6-difluorophenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C2=CC(=C(C(=C2)F)COC3=CC(=NC4=NNN=C34)N)F)N

DOS

IR

Vibrations