Geometry & MOs

Info

ID:	282884
PubChem CID:	103943525
Reduced:	ClO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	284.143725
ΔH_f, kcal/mol:	8.73
Dipole, Da:	1.81
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-methylphenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations