Geometry & MOs

Info

ID:	360618
PubChem CID:	127301263
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	29.6
Dipole, Da:	2.38
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC3=CN(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations