Geometry & MOs

Info

ID:	318111
PubChem CID:	126648997
Reduced:	BrON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	365.128803
ΔH_f, kcal/mol:	22.05
Dipole, Da:	6.56
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(3-fluoro-2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CN1C=C2C(=CC(=CC2=N1)C(=O)N)Br

DOS

IR

Vibrations