Geometry & MOs

Info

ID:	344522
PubChem CID:	127268106
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	8.77
IP(EA), eV:	-8.92(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CN2CCN(CC2)C(=O)CC3CCCCC3)C

DOS

IR

Vibrations