Geometry & MOs

Info

ID:	131191
PubChem CID:	51172303
Reduced:	S2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	4.01
IP(EA), eV:	-9.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpiperidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCCC2C3=CC=CS3

DOS

IR

Vibrations