Geometry & MOs

Info

ID:	193583
PubChem CID:	78408547
Reduced:	ClN4O4C10H11 (1)
Stoich.:	AB4C4D10E11 (1)
Weight, g/mol:	227.057388
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	2.29
IP(EA), eV:	-9.44(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanamide

Drug info:

PubChemData

Smile

COC(=O)CC(=NNC1=NN=C(C=C1)Cl)C(=O)OC

DOS

IR

Vibrations