Geometry & MOs

Info

ID:	197285
PubChem CID:	78947324
Reduced:	FNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-72.04
Dipole, Da:	5.14
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C)O)OCC2=C(C=CC(=C2)C#N)F

DOS

IR

Vibrations