Geometry & MOs

Info

ID:	353149
PubChem CID:	127284329
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-79.4
Dipole, Da:	9.56
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-piperidin-1-yl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)butanamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)N2CSCC2C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations