Geometry & MOs

Info

ID:	126044
PubChem CID:	50949456
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	320.14193
ΔH_f, kcal/mol:	4.28
Dipole, Da:	2.08
IP(EA), eV:	-8.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(piperidin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN2CCN(CC2C1)C/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations