Geometry & MOs

Info

ID:	89759
PubChem CID:	49964402
Reduced:	N2O2Cl3C14H23 (1)
Stoich.:	A2B2C3D14E23 (1)
Weight, g/mol:	439.124031
ΔH_f, kcal/mol:	-148.01
Dipole, Da:	4.71
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CCOC2=CC(=CC=C2)Cl.Cl.Cl

DOS

IR

Vibrations