Geometry & MOs

Info

ID:	19574
PubChem CID:	568016
Reduced:	ClF3N3O3C12H17 (1)
Stoich.:	AB3C3D3E12F17 (1)
Weight, g/mol:	343.091054
ΔH_f, kcal/mol:	-268.41
Dipole, Da:	4.75
IP(EA), eV:	-9.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(chloromethyl)-6-(diethylamino)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(N=C(O1)CCl)(C(=O)OCC)C(F)(F)F

DOS

IR

Vibrations