Geometry & MOs

Info

ID:	398674
PubChem CID:	135034752
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	356.178773
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	4.28
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,9S,11S)-5-fluorospiro[10-oxapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3(8),4,6-triene-14,1'-cyclohexane]-13-yl] acetate

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@@]3(CC4=CC=CC=C4C=C3)C(=O)C=C2

DOS

IR

Vibrations