Geometry & MOs

Info

ID:	328940
PubChem CID:	126729391
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	2.41
IP(EA), eV:	-9.98(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC(=C)C(CC(C)(C)C)C(=O)OCCN=C=O

DOS

IR

Vibrations