Geometry & MOs

Info

ID:	80153
PubChem CID:	49833269
Reduced:	N4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	96.6
Dipole, Da:	2.36
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)CCC(C1=CC2=CC=CC=C2C=C1)N3N=CC=N3

DOS

IR

Vibrations