Geometry & MOs

Info

ID:	387144
PubChem CID:	134984178
Reduced:	ClN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	263.065454
ΔH_f, kcal/mol:	-64.52
Dipole, Da:	2.56
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(cyanomethylimino)hydrazinyl]-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)NN=NCCCl)C=O

DOS

IR

Vibrations