Geometry & MOs

Info

ID:	58939
PubChem CID:	24722440
Reduced:	FO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	6.35
IP(EA), eV:	-10.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)C(=O)C2=CC(=CC=C2)F)C(=O)O

DOS

IR

Vibrations