Geometry & MOs

Info

ID:	344565
PubChem CID:	127268149
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	3.12
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN3CCN(CC3)C(=O)CC4CCCCC4

DOS

IR

Vibrations