Geometry & MOs

Info

ID:	440317
PubChem CID:	135230264
Reduced:	ClN6C8H13 (1)
Stoich.:	AB6C8D13 (1)
Weight, g/mol:	389.083413
ΔH_f, kcal/mol:	69.44
Dipole, Da:	3.2
IP(EA), eV:	-8.26(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[5-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

CN(C(=NC1=C(C(=CC=C1)Cl)N)NN)N

DOS

IR

Vibrations