Geometry & MOs

Info

ID:	363412
PubChem CID:	127310964
Reduced:	S2N3O4C13H23 (1)
Stoich.:	A2B3C4D13E23 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-179.46
Dipole, Da:	6.29
IP(EA), eV:	-9.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC(=O)N2CCC(C2)S(=O)(=O)N

DOS

IR

Vibrations