Geometry & MOs

Info

ID:	294749
PubChem CID:	117488399
Reduced:	FNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-188.92
Dipole, Da:	8.29
IP(EA), eV:	-9.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2CCCN2)F)S(=O)(=O)C)OC

DOS

IR

Vibrations