Geometry & MOs

Info

ID:	292379
PubChem CID:	114917938
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	94.94
Dipole, Da:	0.87
IP(EA), eV:	-9.51(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C2=NC(=NO2)C3=NC=CN=C3)N

DOS

IR

Vibrations