Geometry & MOs

Info

ID:	5644
PubChem CID:	13431
Reduced:	FO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	198.105608
ΔH_f, kcal/mol:	-168.8
Dipole, Da:	5.61
IP(EA), eV:	-10.65(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoroadamantane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)F)C(=O)O

DOS

IR

Vibrations