Geometry & MOs

Info

ID:	81330
PubChem CID:	49854609
Reduced:	F3O3N4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	442.138338
ΔH_f, kcal/mol:	-235.9
Dipole, Da:	3.14
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-[2-(3-chlorophenyl)ethyl]-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)C(=O)CC3=CC=CC=C3)N4CCOCC4

DOS

IR

Vibrations