Geometry & MOs

Info

ID:	294217
PubChem CID:	117438128
Reduced:	ON2F3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-180.39
Dipole, Da:	5.11
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)CCC2=C(C(=CC=C2)C(F)(F)F)O

DOS

IR

Vibrations