Geometry & MOs

Info

ID:	332969
PubChem CID:	127251393
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	437.161853
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	4.63
IP(EA), eV:	-9.12(-0.27)
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-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations