Geometry & MOs

Info

ID:	89466
PubChem CID:	49961954
Reduced:	ON5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	227.092223
ΔH_f, kcal/mol:	116.62
Dipole, Da:	7.95
IP(EA), eV:	-8.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2R)-2-(benzylideneamino)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=N/NC2=CC=CC(=C2)C#N)C3=CC=CC=C3

DOS

IR

Vibrations