Geometry & MOs

Info

ID:	324957
PubChem CID:	126678927
Reduced:	ClO3N5C17H22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	335.118238
ΔH_f, kcal/mol:	-61.39
Dipole, Da:	6.23
IP(EA), eV:	-8.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=C(C=C(C=C2)Cl)COC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations