Geometry & MOs

Info

ID:	216402
PubChem CID:	85086175
Reduced:	ON4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	100.28
Dipole, Da:	3.14
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2N)N=[N+]=[N-]

DOS

IR

Vibrations