Geometry & MOs

Info

ID:	199455
PubChem CID:	79248436
Reduced:	ON4C12H24 (1)
Stoich.:	AB4C12D24 (1)
Weight, g/mol:	338.02914
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	3.75
IP(EA), eV:	-7.86(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-amino-5-fluoro-4-iodoanilino)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)N)N[C@H](CO)C(C)C

DOS

IR

Vibrations