Geometry & MOs

Info

ID:	226916
PubChem CID:	87558933
Reduced:	O3C26H42 (1)
Stoich.:	A3B26C42 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-125.68
Dipole, Da:	2.82
IP(EA), eV:	-9.45(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(triisocyanatomethyl)octane

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CC)C(=O)OCC

DOS

IR

Vibrations