Geometry & MOs

Info

ID:	421028
PubChem CID:	135115254
Reduced:	FSN3O4C17H20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	396.26376
ΔH_f, kcal/mol:	-159.1
Dipole, Da:	2.83
IP(EA), eV:	-9.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-morpholin-4-yl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=NC3=C(C=CC=C3F)C=C2

DOS

IR

Vibrations