Geometry & MOs

Info

ID:	387601
PubChem CID:	134986084
Reduced:	O2N3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	258.139969
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	0.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773172
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-4-methyl-3-trimethylsilyloxypent-1-en-1-olate

Drug info:

PubChemData

Smile

C=[N+]1C(=O)N(C(=O)N1)C2=CC=CC=C2

DOS

IR

Vibrations