Geometry & MOs

Info

ID:	230783
PubChem CID:	87571989
Reduced:	SN3O3H7C9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	251.168543
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	6.99
IP(EA), eV:	-9.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[(E)-oct-2-enoxy]phenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1OC2=CN=C(S2)N)C(=O)O

DOS

IR

Vibrations