Geometry & MOs

Info

ID:	282952
PubChem CID:	103948047
Reduced:	FNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	246.116841
ΔH_f, kcal/mol:	-163.86
Dipole, Da:	5.37
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(2-pyridin-3-ylethylamino)methyl]phenol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CNCC2=C(C=CC(=C2)F)O

DOS

IR

Vibrations