Geometry & MOs

Info

ID:	332971
PubChem CID:	127251395
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	437.186318
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	5.51
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-3-(3-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=CC(=CC=C3)Cl)C4=CN=C(C=C4)N

DOS

IR

Vibrations