Geometry & MOs

Info

ID:	344519
PubChem CID:	127268103
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	5.61
IP(EA), eV:	-9.02(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C(=O)CC4CCCCC4

DOS

IR

Vibrations