Geometry & MOs

Info

ID:	81243
PubChem CID:	49854500
Reduced:	OF2N2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	412.152239
ΔH_f, kcal/mol:	-245.17
Dipole, Da:	2.19
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)CCC3=CC(=CC=C3)F)N4CCOCC4

DOS

IR

Vibrations