Geometry & MOs

Info

ID:	285192
PubChem CID:	104098538
Reduced:	SN2O3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	254.068287
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	4.6
IP(EA), eV:	-9.66(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-5-[2-(triazol-1-yl)ethylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

C[C@H](CCO)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations