Geometry & MOs

Info

ID:	81362
PubChem CID:	49854642
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	406.165248
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	3.33
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C[C@@H]1CN(C2=CC=CC=C12)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations