Geometry & MOs

Info

ID:	436233
PubChem CID:	135195683
Reduced:	FO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	266.131823
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	2.59
IP(EA), eV:	-9.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-5-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]benzoate

Drug info:

PubChemData

Smile

CC[C@@H]1CCCC[C@H]1C2=CC(=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations