Geometry & MOs

Info

ID:	18574
PubChem CID:	543111
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	3.96
IP(EA), eV:	-11.31(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diisocyanohexyl formate

Drug info:

PubChemData

Smile

[C-]#[N+]CCCCC(COC=O)[N+]#[C-]

DOS

IR

Vibrations