Geometry & MOs

Info

ID:	355447
PubChem CID:	127288510
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	1.05
IP(EA), eV:	-9.6(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations