Geometry & MOs

Info

ID:	407950
PubChem CID:	135080705
Reduced:	NO5C6H11 (1)
Stoich.:	AB5C6D11 (1)
Weight, g/mol:	239.051776
ΔH_f, kcal/mol:	-229.53
Dipole, Da:	4.0
IP(EA), eV:	-10.28(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-methoxy-3-(2,2,2-trifluoroethoxyimino)but-1-en-1-olate

Drug info:

PubChemData

Smile

COC(=O)C[C@@H]([C@H](C(=O)O)N)O

DOS

IR

Vibrations