Geometry & MOs

Info

ID:	287236
PubChem CID:	104234144
Reduced:	FNSO4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	229.06697
ΔH_f, kcal/mol:	-201.13
Dipole, Da:	2.79
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-3-chloroprop-2-enoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC2CS(=O)(=O)CC2O)F)N

DOS

IR

Vibrations