Geometry & MOs

Info

ID:	361628
PubChem CID:	127303918
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	334.175339
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	2.7
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C(C)NC(=O)C3CCCC3

DOS

IR

Vibrations