Geometry & MOs

Info

ID:	81244
PubChem CID:	49854501
Reduced:	O2F4N4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	416.127167
ΔH_f, kcal/mol:	-226.45
Dipole, Da:	4.98
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-(3,5-difluorophenyl)-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)N4CCOCC4)F

DOS

IR

Vibrations