Geometry & MOs

Info

ID:	208984
PubChem CID:	80609064
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	237.068431
ΔH_f, kcal/mol:	51.39
Dipole, Da:	0.85
IP(EA), eV:	-8.77(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN2C3=CC=CC=C3N=CC2=O

DOS

IR

Vibrations