Geometry & MOs

Info

ID:	214098
PubChem CID:	81067302
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	322.055818
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	7.28
IP(EA), eV:	-9.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-thieno[3,2-b]thiophen-5-yltetrazol-1-yl)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CN1C(=NN=N1)C2=C(N=CC=C2)OC

DOS

IR

Vibrations