Geometry & MOs

Info

ID:	130418
PubChem CID:	51075887
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	35.51
Dipole, Da:	1.69
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations