Geometry & MOs

Info

ID:	381973
PubChem CID:	134972861
Reduced:	SYN3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	172.068767
ΔH_f, kcal/mol:	86.72
Dipole, Da:	2.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819812
Charge, e:	0

Chem-info

IUPAC name:

lithium;sodium;(1Z,3E)-1-methoxy-2-methylpenta-1,3-diene-1,3-diolate

Drug info:

PubChemData

Smile

[CH2-]C1=NN=C2N1C3=CC=CC=C3S2.C1=CC=[C-]C=C1.[Y]

DOS

IR

Vibrations