Geometry & MOs

Info

ID:	318153
PubChem CID:	126649095
Reduced:	ClO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	365.128803
ΔH_f, kcal/mol:	-90.23
Dipole, Da:	6.9
IP(EA), eV:	-9.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2O1)C(=O)Cl)O

DOS

IR

Vibrations