Geometry & MOs

Info

ID:	364191
PubChem CID:	127314494
Reduced:	SN2O2C19H28 (1)
Stoich.:	AB2C2D19E28 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	4.51
IP(EA), eV:	-8.37(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxypiperidin-1-yl)-2-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)CC2=CC=C(C=C2)CNC(=O)C3CCSCC3

DOS

IR

Vibrations