Geometry & MOs

Info

ID:	361635
PubChem CID:	127303929
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	291.144373
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	4.07
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CN=C(C=C3)N4CCC(CC4)C

DOS

IR

Vibrations