Geometry & MOs

Info

ID:	342256
PubChem CID:	127265033
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	30.74
Dipole, Da:	3.96
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[oxolan-2-yl(phenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=CC=N2)NS(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations