Geometry & MOs

Info

ID:	332112
PubChem CID:	127250398
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	423.170668
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	2.54
IP(EA), eV:	-8.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-3-(3-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CN3CCOC(C3)C4=NC=C(C=C4)C5=CC(=CC=C5)OC)N(C1=O)C

DOS

IR

Vibrations