Geometry & MOs

Info

ID:	55506
PubChem CID:	17395479
Reduced:	OSN6H14C16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	310.100066
ΔH_f, kcal/mol:	124.54
Dipole, Da:	5.55
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations