Geometry & MOs

Info

ID:	320599
PubChem CID:	126661968
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	539.347155
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	4.18
IP(EA), eV:	-8.44(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[4-[[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(=CCC1C(=O)N(CCO)CCO)C2=CC=C(C=C2)OCC3CCNCC3

DOS

IR

Vibrations