Geometry & MOs

Info

ID:	258969
PubChem CID:	103157623
Reduced:	O2F3N3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-130.59
Dipole, Da:	4.14
IP(EA), eV:	-9.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)C2=CC(=C(C(=C2)F)F)F)CN

DOS

IR

Vibrations