Geometry & MOs

Info

ID:	138823
PubChem CID:	52431465
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	385.181056
ΔH_f, kcal/mol:	60.09
Dipole, Da:	9.28
IP(EA), eV:	-9.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]-2-piperidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=O)CN4CCCCC4

DOS

IR

Vibrations