Geometry & MOs

Info

ID:	130836
PubChem CID:	51115777
Reduced:	F3N3O3H14C17 (1)
Stoich.:	A3B3C3D14E17 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-201.28
Dipole, Da:	4.73
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)C(=O)NC2=CC(=C(C=C2)OCC(F)(F)F)C#N)C

DOS

IR

Vibrations