Geometry & MOs

Info

ID:	288762
PubChem CID:	104325231
Reduced:	ClNO2H10C16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	314.96434
ΔH_f, kcal/mol:	29.16
Dipole, Da:	4.77
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCl)OC2=C(OC3=CC=CC=C32)C#N

DOS

IR

Vibrations