Geometry & MOs

Info

ID:	293987
PubChem CID:	117421007
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	267.0707
ΔH_f, kcal/mol:	30.3
Dipole, Da:	2.75
IP(EA), eV:	-9.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-5-(1-isocyanatocyclopentyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C2=NOC(=C2)N)Br

DOS

IR

Vibrations