Geometry & MOs

Info

ID:	180636
PubChem CID:	76663559
Reduced:	N3O3F4H23C25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	258.097998
ΔH_f, kcal/mol:	-261.04
Dipole, Da:	6.88
IP(EA), eV:	-9.47(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-phenyl-2-(trifluoromethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(CN1C2=NC(=NC(=C2C3=CC=CC(=C3)C)C4=CC=C(C=C4)F)C(F)(F)F)O

DOS

IR

Vibrations