Geometry & MOs

Info

ID:	184156
PubChem CID:	77120456
Reduced:	IF2N2O3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	357.98144
ΔH_f, kcal/mol:	-128.64
Dipole, Da:	7.61
IP(EA), eV:	-9.28(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxyphenyl)-5-iodo-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=O)C(C=N2)I)OC(F)F

DOS

IR

Vibrations