Geometry & MOs

Info

ID:	332353
PubChem CID:	127250639
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	3.27
Dipole, Da:	4.09
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CNN=C4

DOS

IR

Vibrations