Geometry & MOs

Info

ID:	80930
PubChem CID:	49853928
Reduced:	F2O3N4H14C16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	6.28
IP(EA), eV:	-9.47(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzo[g][1,3]benzoxazol-2-ylmethyl)-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC3=NC4=CC(=C(C=C4O3)F)F

DOS

IR

Vibrations