Geometry & MOs

Info

ID:	305817
PubChem CID:	124970679
Reduced:	ClFO3N5H19C24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	7.27
IP(EA), eV:	-8.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-2-methyl-1-[(2S)-2-[6-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NC4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations