Geometry & MOs

Info

ID:	447328
PubChem CID:	135282064
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	332.20124
ΔH_f, kcal/mol:	-14.96
Dipole, Da:	4.35
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[2-(fluoromethyl)-6-(6-methylpyrimidin-4-yl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)C2=CN=C(C(=C2)C)OC[C@](C)(CC(C)C)N

DOS

IR

Vibrations