Geometry & MOs

Info

ID:	43527
PubChem CID:	10321424
Reduced:	O2F3N4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	448.191069
ΔH_f, kcal/mol:	-194.21
Dipole, Da:	6.05
IP(EA), eV:	-8.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-fluoroanilino)pyridin-4-yl]-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CN3CCN(CC3)C4=CN=CC=C4

DOS

IR

Vibrations