Geometry & MOs

Info

ID:	332102
PubChem CID:	127250388
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	19.11
Dipole, Da:	3.22
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C(=NN2)C(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN=CN=C5

DOS

IR

Vibrations