Geometry & MOs

Info

ID:	293509
PubChem CID:	117392133
Reduced:	ClFON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	7.47
IP(EA), eV:	-9.02(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-aminocyclobutyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C(=C(C=C2)Cl)F)OC)N

DOS

IR

Vibrations