Geometry & MOs

Info

ID:	318138
PubChem CID:	126649073
Reduced:	ClN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	353.108816
ΔH_f, kcal/mol:	12.38
Dipole, Da:	6.13
IP(EA), eV:	-9.33(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=C(C=C(C=C1)C2CC2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations