Geometry & MOs

Info

ID:	424267
PubChem CID:	135121980
Reduced:	ON2C3H7 (2)
Stoich.:	AB2C3D7 (2)
Weight, g/mol:	176.044938
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	7.68
IP(EA), eV:	-9.46(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-hydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations