Geometry & MOs

Info

ID:	148766
PubChem CID:	53788435
Reduced:	BSiO3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	608.082532
ΔH_f, kcal/mol:	-271.74
Dipole, Da:	1.89
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[[2-(4-chloro-2-nitrobenzoyl)-4,7-dioxo-1,5-dipropyl-6-aza-1,5-diazoniabicyclo[3.1.1]heptan-3-ylidene]amino] 4-chloro-2-nitrobenzoate

Drug info:

PubChemData

Smile

B(O)(OC1=CC=CC(=C1C)C)O[Si](C)(C)C

DOS

IR

Vibrations