Geometry & MOs

Info

ID:	293355
PubChem CID:	117385320
Reduced:	OF2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	253.102668
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	2.53
IP(EA), eV:	-9.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(3,3-difluoropropyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=CC(=C2F)COC)F)N

DOS

IR

Vibrations