Geometry & MOs

Info

ID:	80992
PubChem CID:	49854232
Reduced:	O2F3N5H16C17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	328.117155
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	3.83
IP(EA), eV:	-9.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-1,3-benzoxazol-2-yl)methyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=NC2=CC(=C(C(=C21)F)F)F)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations