Geometry & MOs

Info

ID:	262269
PubChem CID:	103281154
Reduced:	N5C8H13 (1)
Stoich.:	A5B8C13 (1)
Weight, g/mol:	206.062618
ΔH_f, kcal/mol:	73.79
Dipole, Da:	6.4
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-thiophen-3-yl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CNCC2C1N3C(=NC2)N=CN3

DOS

IR

Vibrations