Geometry & MOs

Info

ID:	355334
PubChem CID:	127288311
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	9.46
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)CN2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations