Geometry & MOs

Info

ID:	356085
PubChem CID:	127291121
Reduced:	SO4N5C15H29 (1)
Stoich.:	AB4C5D15E29 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	5.26
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-1,2,4-triazol-3-yl)-N-(oxan-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations