Geometry & MOs

Info

ID:	36428
PubChem CID:	8006431
Reduced:	OSN7C18H21 (1)
Stoich.:	ABC7D18E21 (1)
Weight, g/mol:	269.091275
ΔH_f, kcal/mol:	41.95
Dipole, Da:	8.51
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

DOS

IR

Vibrations