Geometry & MOs

Info

ID:	338496
PubChem CID:	127259188
Reduced:	ClN2O5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	228.041403
ΔH_f, kcal/mol:	-128.22
Dipole, Da:	4.69
IP(EA), eV:	-10.32(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-[(6-chloropyridazin-3-yl)hydrazinylidene]ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)COC1=C(C=CC(=N1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations