Geometry & MOs

Info

ID:	355449
PubChem CID:	127288512
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	3.88
IP(EA), eV:	-8.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-3-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations