Geometry & MOs

Info

ID:	8407
PubChem CID:	77411
Reduced:	NOC4H6 (6)
Stoich.:	ABC4D6 (6)
Weight, g/mol:	504.269633
ΔH_f, kcal/mol:	-254.56
Dipole, Da:	6.79
IP(EA), eV:	-10.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C(CCCN1C(=O)N(C(=O)N(C1=O)CCCCCCN=C=O)CCCCCCN=C=O)CCN=C=O

DOS

IR

Vibrations