Geometry & MOs

Info

ID:	344449
PubChem CID:	127267625
Reduced:	ClO2N6C16H21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	338.195405
ΔH_f, kcal/mol:	4.93
Dipole, Da:	3.72
IP(EA), eV:	-9.56(-0.98)
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-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)C(C)C

DOS

IR

Vibrations