Geometry & MOs

Info

ID:	440872
PubChem CID:	135231940
Reduced:	ON5C21H39 (1)
Stoich.:	AB5C21D39 (1)
Weight, g/mol:	295.237211
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	2.38
IP(EA), eV:	-8.76(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-cyclohexylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCC2=NN(C(=C2)CN)C3CCCCO3

DOS

IR

Vibrations