Geometry & MOs

Info

ID:	225546
PubChem CID:	85852850
Reduced:	ClNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	744.53289
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	8.4
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl 2,4,6-tris(dodec-1-ynyl)benzene-1,3,5-tricarboxylate

Drug info:

PubChemData

Smile

C1C(OC(=C(C#N)Cl)O1)C2=CC=CC=C2

DOS

IR

Vibrations