Geometry & MOs

Info

ID:	147256
PubChem CID:	53786910
Reduced:	N3O3C23H41 (1)
Stoich.:	A3B3C23D41 (1)
Weight, g/mol:	407.314792
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	3.05
IP(EA), eV:	-9.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diazonio-[7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-1-oxo-1-propan-2-yloxyheptan-2-yl]azanide

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1CCC(=O)[C@@H]1CCCCC[C@@H](C(=O)OC(C)C)[N-][N+]#N

DOS

IR

Vibrations