Geometry & MOs

Info

ID:	81058
PubChem CID:	49854298
Reduced:	O2N4F5C19H19 (1)
Stoich.:	A2B4C5D19E19 (1)
Weight, g/mol:	430.142817
ΔH_f, kcal/mol:	-286.94
Dipole, Da:	2.38
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-[(2,4-difluorophenyl)methyl]-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)CC3=CC(=CC(=C3)F)F)N4CCOCC4

DOS

IR

Vibrations