Geometry & MOs

Info

ID:	254035
PubChem CID:	103122333
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	328.92321
ΔH_f, kcal/mol:	34.02
Dipole, Da:	6.62
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-pyrazolo[1,5-a]pyrazin-3-yl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=N1)C2=C3C=CC=CN3N=C2)C

DOS

IR

Vibrations