Geometry & MOs

Info

ID:	351678
PubChem CID:	127280765
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	348.26376
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	2.74
IP(EA), eV:	-8.81(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CN3CCN(CC3)CC(=O)NC4CCCCC4

DOS

IR

Vibrations