Geometry & MOs

Info

ID:	81358
PubChem CID:	49854638
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	445.212533
ΔH_f, kcal/mol:	-40.5
Dipole, Da:	6.09
IP(EA), eV:	-8.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-2-(piperidin-4-ylmethoxy)phenyl]-2-(6-morpholin-4-yl-4-oxo-1H-pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(C(=O)OC1)C2=CC=C(C=C2)C34CC3CNC4

DOS

IR

Vibrations