Geometry & MOs

Info

ID:	432182
PubChem CID:	135172314
Reduced:	OSC11H18 (1)
Stoich.:	ABC11D18 (1)
Weight, g/mol:	294.134142
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	2.34
IP(EA), eV:	-8.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propyl]-[1,2,4]triazolo[1,5-b]pyridazine

Drug info:

PubChemData

Smile

CC1=C(C(SC1=C)(C)CC(C)C)O

DOS

IR

Vibrations