Geometry & MOs

Info

ID:	288763
PubChem CID:	104325288
Reduced:	BrO2N3H6C13 (1)
Stoich.:	AB2C3D6E13 (1)
Weight, g/mol:	362.95047
ΔH_f, kcal/mol:	70.33
Dipole, Da:	4.97
IP(EA), eV:	-9.56(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodopyrimidin-4-yl)oxy-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OC3=NC=NC=C3Br

DOS

IR

Vibrations