Geometry & MOs

Info

ID:	293269
PubChem CID:	117380551
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	4.66
IP(EA), eV:	-8.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(1-isocyanatocyclopentyl)-5-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C/C(=C/2\NOC(=N2)CN)/C(=O)C=C1OC

DOS

IR

Vibrations