Geometry & MOs

Info

ID:	165269
PubChem CID:	74524027
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	314.125314
ΔH_f, kcal/mol:	12.03
Dipole, Da:	12.0
IP(EA), eV:	-7.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-6-methyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

CCC1=NN2C(=C(SC2=N1)C(C3=CC=CC(=C3)C)[NH+]4CC(CC(C4)C)C)[O-]

DOS

IR

Vibrations