Geometry & MOs

Info

ID:	316019
PubChem CID:	126629675
Reduced:	O5N6C34H48 (1)
Stoich.:	A5B6C34D48 (1)
Weight, g/mol:	314.978916
ΔH_f, kcal/mol:	-169.25
Dipole, Da:	4.65
IP(EA), eV:	-9.19(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,5-dichloropyrimidin-4-yl)oxyazetidin-1-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

C/C=C/[C@H]([C@@H](C)C(=O)NC(C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H](N1)C(=O)N[C@H](C)C2=CC3=CC(=NC=C3C=C2)C=C)OC

DOS

IR

Vibrations