Geometry & MOs

Info

ID:	299688
PubChem CID:	117688607
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	378.16158
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	3.45
IP(EA), eV:	-9.09(2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1CN(C2)C3COC3

DOS

IR

Vibrations