Geometry & MOs

Info

ID:	293266
PubChem CID:	117380245
Reduced:	BrF2O2H5C8 (1)
Stoich.:	AB2C2D5E8 (1)
Weight, g/mol:	251.070619
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	2.29
IP(EA), eV:	-9.61(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1F)Br)F)O

DOS

IR

Vibrations