Geometry & MOs

Info

ID:	344545
PubChem CID:	127268129
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	4.69
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations