Geometry & MOs

Info

ID:	361630
PubChem CID:	127303920
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	15.82
Dipole, Da:	3.64
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC=C4CCC5=C4C3=CC=C5

DOS

IR

Vibrations