Geometry & MOs

Info

ID:	294602
PubChem CID:	117473174
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	293.106336
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	5.03
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-(1-isocyanatocyclopentyl)-6-methoxy-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

COCC1=CC(=C(C=C1C2=CC(=NO2)C(=O)O)OC)OC

DOS

IR

Vibrations