Geometry & MOs

Info

ID:	81434
PubChem CID:	49854721
Reduced:	ClF3N4O4C21H24 (1)
Stoich.:	AB3C4D4E21F24 (1)
Weight, g/mol:	438.187875
ΔH_f, kcal/mol:	-291.37
Dipole, Da:	5.08
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-(2-hydroxy-3-phenylpropyl)-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O)Cl

DOS

IR

Vibrations