Geometry & MOs

Info

ID:	252752
PubChem CID:	103113850
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	4.76
IP(EA), eV:	-10.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(2-methyl-3-nitrophenyl)methyl]pyridazine-3,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCC2=CN=CC=C2)C(=O)OC

DOS

IR

Vibrations