Geometry & MOs

Info

ID:	344563
PubChem CID:	127268147
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	3.94
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations