Geometry & MOs

Info

ID:	129661
PubChem CID:	51073491
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	321.060569
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	4.07
IP(EA), eV:	-10.33(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol

Drug info:

PubChemData

Smile

C1CCCC2(CCC1)C(=O)N(C(=O)N2)CC(CCC#N)C#N

DOS

IR

Vibrations