Geometry & MOs

Info

ID:	294851
PubChem CID:	117500303
Reduced:	ClFN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	313.97023
ΔH_f, kcal/mol:	-109.73
Dipole, Da:	4.99
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC3=C(C(=C2F)Cl)OCCCO3)CN

DOS

IR

Vibrations