Geometry & MOs

Info

ID:	25847
PubChem CID:	631813
Reduced:	CuN3O6C19H25 (1)
Stoich.:	AB3C6D19E25 (1)
Weight, g/mol:	353.34651
ΔH_f, kcal/mol:	-185.77
Dipole, Da:	8.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.891233
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-methyl-4-pentadecyl-1,3,2-dioxaborinan-5-amine

Drug info:

PubChemData

Smile

C[C-]([CH-][C-](C)O)O.COC(=O)C1CC[C-]([N-]1)[C-](C#N)[C-]2CCC([N-]2)C(=O)OC.[Cu]

DOS

IR

Vibrations