Geometry & MOs

Info

ID:	323688
PubChem CID:	126675745
Reduced:	ON4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	348.124721
ΔH_f, kcal/mol:	41.59
Dipole, Da:	5.94
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=CC(=C(N=C2)N)C(=O)N

DOS

IR

Vibrations