Geometry & MOs

Info

ID:	344557
PubChem CID:	127268141
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	4.51
IP(EA), eV:	-9.06(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations