Geometry & MOs

Info

ID:	324962
PubChem CID:	126678948
Reduced:	FN2C8H9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	374.123972
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	3.99
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-5-(2-methoxypyrimidin-5-yl)benzonitrile

Drug info:

PubChemData

Smile

C/C(=N\N)/C1=CC(=CC=C1)F

DOS

IR

Vibrations