Geometry & MOs

Info

ID:	85693
PubChem CID:	49878268
Reduced:	ON3H23C26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	69.29
Dipole, Da:	4.82
IP(EA), eV:	-8.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-N-[(E)-(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)CNC1=CC2=CC=CC=C2C=C1)/C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations