Geometry & MOs

Info

ID:	152428
PubChem CID:	56311355
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	3.47
IP(EA), eV:	-9.05(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclopropylmethyl(1-phenylethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC3=CC=C(O3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations