Geometry & MOs

Info

ID:	9056
PubChem CID:	85656
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	4.28
IP(EA), eV:	-10.45(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diisocyanato-2-methylcyclohexane

Drug info:

PubChemData

Smile

CC1C(CCCC1N=C=O)N=C=O

DOS

IR

Vibrations