Geometry & MOs

Info

ID:	294830
PubChem CID:	117499021
Reduced:	BrNO2F3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	312.97498
ΔH_f, kcal/mol:	-187.46
Dipole, Da:	3.13
IP(EA), eV:	-9.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-fluoro-5-(1-isocyanatocyclopropyl)-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)CNOC)C(F)(F)F

DOS

IR

Vibrations