Geometry & MOs

Info

ID:	179108
PubChem CID:	76435030
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	299.113073
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	6.88
IP(EA), eV:	-9.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(2,1,3-benzoxadiazol-4-yl)imidazol-1-yl]ethyl]-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCC2C(C1)NC(NC2=O)C3=CC=CC=N3

DOS

IR

Vibrations