Geometry & MOs

Info

ID:	160050
PubChem CID:	57304496
Reduced:	ON3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	367.994232
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	3.46
IP(EA), eV:	-9.44(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(chloromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

C1=C(NC=N1)CCC(N)O

DOS

IR

Vibrations