Geometry & MOs

Info

ID:	391779
PubChem CID:	135009461
Reduced:	SiO3N4C18H34 (1)
Stoich.:	AB3C4D18E34 (1)
Weight, g/mol:	456.23727
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	2.86
IP(EA), eV:	-8.9(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-diazonio-1-(2-ethoxycarbonyl-5-nitro-1H-isoquinolin-1-yl)dodec-1-en-2-olate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](CN=[N+]=[N-])N(CC#C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations