Geometry & MOs

Info

ID:	193028
PubChem CID:	78337564
Reduced:	FN3O3H4C7 (1)
Stoich.:	AB3C3D4E7 (1)
Weight, g/mol:	474.072482
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	3.41
IP(EA), eV:	-10.09(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C1=C(C2C(=NNC2=O)C(=C1)[N+](=O)[O-])F

DOS

IR

Vibrations