Geometry & MOs

Info

ID:	361676
PubChem CID:	127304391
Reduced:	N2O2C7H11 (2)
Stoich.:	A2B2C7D11 (2)
Weight, g/mol:	319.175673
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	4.62
IP(EA), eV:	-9.3(-0.38)
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]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3COCCO3

DOS

IR

Vibrations