Geometry & MOs

Info

ID:	345211
PubChem CID:	127268971
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	353.267842
ΔH_f, kcal/mol:	-87.3
Dipole, Da:	1.29
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC(CN2CCOCC2)O)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations