Geometry & MOs

Info

ID:	361674
PubChem CID:	127304389
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	352.211055
ΔH_f, kcal/mol:	3.1
Dipole, Da:	4.01
IP(EA), eV:	-9.35(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CC3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations