Geometry & MOs

Info

ID:	355430
PubChem CID:	127288493
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	335.152829
ΔH_f, kcal/mol:	-55.84
Dipole, Da:	3.14
IP(EA), eV:	-9.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations