Geometry & MOs

Info

ID:	447327
PubChem CID:	135282042
Reduced:	F2N3O3C23H31 (1)
Stoich.:	A2B3C3D23E31 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-204.8
Dipole, Da:	7.45
IP(EA), eV:	-9.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[5-(6-ethylpyrimidin-4-yl)-3-methylpyridin-2-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC(=C(C=C2F)OCC(C)(CC(C)C)N(C(=O)O)C(C)(C)C)F

DOS

IR

Vibrations