Geometry & MOs

Info

ID:	444699
PubChem CID:	135263280
Reduced:	OSF3N4C26H29 (1)
Stoich.:	ABC3D4E26F29 (1)
Weight, g/mol:	489.27399
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	8.7
IP(EA), eV:	-8.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]-2-(2-morpholin-4-ylpyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)N3C=CSC3N4CCN5C(=CC(=CC5=O)C(F)(F)F)C4

DOS

IR

Vibrations