Geometry & MOs

Info

ID:	265179
PubChem CID:	103512885
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	5.0
IP(EA), eV:	-8.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyladamantane-1-carbonyl isocyanate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N=C=O)OCC

DOS

IR

Vibrations