Geometry & MOs

Info

ID:	318133
PubChem CID:	126649068
Reduced:	ClON5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	349.133888
ΔH_f, kcal/mol:	93.6
Dipole, Da:	3.54
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)COC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations