Geometry & MOs

Info

ID:	344450
PubChem CID:	127267626
Reduced:	N2O2C8H13 (2)
Stoich.:	A2B2C8D13 (2)
Weight, g/mol:	352.211055
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	5.19
IP(EA), eV:	-9.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C(C)OCC3CCCO3

DOS

IR

Vibrations