Geometry & MOs

Info

ID:	355339
PubChem CID:	127288316
Reduced:	ON5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	28.69
Dipole, Da:	7.79
IP(EA), eV:	-8.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CC1)C(=O)CN2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations