Geometry & MOs

Info

ID:	80229
PubChem CID:	49833657
Reduced:	ClO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	321.056112
ΔH_f, kcal/mol:	41.27
Dipole, Da:	4.2
IP(EA), eV:	-9.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C1C(ON=C1OC2=CN=CN=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations