Geometry & MOs

Info

ID:	262455
PubChem CID:	103293692
Reduced:	ClON5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	219.123243
ΔH_f, kcal/mol:	33.49
Dipole, Da:	4.58
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-propyl-1-pyridazin-3-yl-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC2=CN=CC(=N2)NN

DOS

IR

Vibrations