Geometry & MOs

Info

ID:	318157
PubChem CID:	126649116
Reduced:	O3N5H11C13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	396.98442
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	6.01
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-bromo-2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)COC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations