Geometry & MOs

Info

ID:	355516
PubChem CID:	127288579
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	345.227709
ΔH_f, kcal/mol:	51.36
Dipole, Da:	0.55
IP(EA), eV:	-8.89(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(C)C3=NC(=NO3)C4CC4

DOS

IR

Vibrations