Geometry & MOs

Info

ID:	147255
PubChem CID:	53786909
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	407.314792
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	7.19
IP(EA), eV:	-9.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)O)C(C1=NC2=CC=CC=C2N1)C(=O)O

DOS

IR

Vibrations