Geometry & MOs

Info

ID:	81242
PubChem CID:	49854499
Reduced:	OF2N2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	426.167889
ΔH_f, kcal/mol:	-237.55
Dipole, Da:	2.25
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F

DOS

IR

Vibrations