Geometry & MOs

Info

ID:	292921
PubChem CID:	117365153
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	245.121592
ΔH_f, kcal/mol:	7.03
Dipole, Da:	3.25
IP(EA), eV:	-8.25(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-(1-isocyanatocyclopentyl)-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C3=C(ON=C3)N

DOS

IR

Vibrations