Geometry & MOs

Info

ID:	344521
PubChem CID:	127268105
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	4.02
IP(EA), eV:	-8.99(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)CN2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations