Geometry & MOs

Info

ID:	58938
PubChem CID:	24722355
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	250.100523
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	6.51
IP(EA), eV:	-10.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(3-fluorobenzoyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations