Geometry & MOs

Info

ID:	344566
PubChem CID:	127268150
Reduced:	ON2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	8.53
IP(EA), eV:	-9.01(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations