Geometry & MOs

Info

ID:	174820
PubChem CID:	75819527
Reduced:	ON4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	291.078996
ΔH_f, kcal/mol:	30.71
Dipole, Da:	9.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.991046
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC=C(C=C2)C3NC(CC(=O)N3)C4=CC=NC=C4

DOS

IR

Vibrations