Geometry & MOs

Info

ID:	170891
PubChem CID:	75295334
Reduced:	BrN2O2H17C26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	348.00425
ΔH_f, kcal/mol:	77.73
Dipole, Da:	3.73
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-9-trimethylsilylnon-3-en-6,8-diyne-1,5-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C(C2(C#N)C(=O)C3=CNC4=CC=CC=C43)C5=CC(=CC=C5)Br

DOS

IR

Vibrations