Geometry & MOs

Info

ID:	300430
PubChem CID:	121280806
Reduced:	NO3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	178.079393
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	5.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.219345
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-oxaspiro[2.3]hexane

Drug info:

PubChemData

Smile

COC1=[N+](C=C(C=C1)OCC2=CC=CC=C2)O

DOS

IR

Vibrations