Geometry & MOs

Info

ID:	206147
PubChem CID:	80212902
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	293.179107
ΔH_f, kcal/mol:	-173.72
Dipole, Da:	4.67
IP(EA), eV:	-9.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(3-fluoro-4-methylphenyl)ethylamino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1COCC1C(=O)O)C(C)C2=CC(=C(C=C2)C)F

DOS

IR

Vibrations