Geometry & MOs

Info

ID:	81059
PubChem CID:	49854299
Reduced:	O2N4F5C19H19 (1)
Stoich.:	A2B4C5D19E19 (1)
Weight, g/mol:	448.133395
ΔH_f, kcal/mol:	-286.26
Dipole, Da:	2.15
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-2-morpholin-4-yl-8-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]-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=C(C=C(C=C3)F)F)N4CCOCC4

DOS

IR

Vibrations