Geometry & MOs

Info

ID:	299697
PubChem CID:	117688671
Reduced:	OF3N5C16H16 (1)
Stoich.:	AB3C5D16E16 (1)
Weight, g/mol:	351.150681
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	1.65
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-ethyl-6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CC(=N2)N3CC(C3)F)C4=CC(=C(N=C4)N)OC(F)F

DOS

IR

Vibrations