Geometry & MOs

Info

ID:	80228
PubChem CID:	49833656
Reduced:	Cl2F3O5N8H31C38 (1)
Stoich.:	A2B3C5D8E31F38 (1)
Weight, g/mol:	275.046154
ΔH_f, kcal/mol:	-136.3
Dipole, Da:	7.76
IP(EA), eV:	-9.31(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=NC(=NO6)C7CC7)C8=CC(=CC(=C8)Cl)Cl)CC9=CC=C(C=C9)OC(F)(F)F

DOS

IR

Vibrations