Geometry & MOs

Info

ID:	344562
PubChem CID:	127268146
Reduced:	ON2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	6.33
IP(EA), eV:	-8.82(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN(C(=O)CN1CCN(CC1)C(=O)CC2CCCCC2)C3(CCCCC3)C#N

DOS

IR

Vibrations