Geometry & MOs

Info

ID:	447329
PubChem CID:	135282070
Reduced:	FON4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	163.100857
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	3.34
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-fluoro-2,4-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=NC(=C(C=C2)OC[C@@H](C)CC(C)(C)N)CF

DOS

IR

Vibrations