Geometry & MOs

Info

ID:	361888
PubChem CID:	127304884
Reduced:	N2O4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	-173.48
Dipole, Da:	3.92
IP(EA), eV:	-8.44(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)C(=O)C3COCCO3

DOS

IR

Vibrations