Geometry & MOs

Info

ID:	447374
PubChem CID:	135282415
Reduced:	FCl2N3O3H26C27 (1)
Stoich.:	AB2C3D3E26F27 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-119.44
Dipole, Da:	5.02
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-dimethyl-1-[4-methyl-6-(6-methylpyrimidin-4-yl)pyridin-3-yl]oxypentan-2-amine

Drug info:

PubChemData

Smile

CC(C1CCNCC1)(C2=CC3=C(C(=C2)F)C(N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O)O

DOS

IR

Vibrations