Geometry & MOs

Info

ID:	355517
PubChem CID:	127288580
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	347.243359
ΔH_f, kcal/mol:	70.77
Dipole, Da:	6.35
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)CC3=NN=C(N3C4CC4)C

DOS

IR

Vibrations