Geometry & MOs

Info

ID:	184452
PubChem CID:	77162273
Reduced:	F3O3N4C16H19 (1)
Stoich.:	A3B3C4D16E19 (1)
Weight, g/mol:	402.15149
ΔH_f, kcal/mol:	-240.47
Dipole, Da:	5.6
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-(trifluoromethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2CC(=O)NC(N2)CC(=O)NC3=CC(=C(C=C3F)F)F

DOS

IR

Vibrations