Geometry & MOs

Info

ID:	143710
PubChem CID:	53252140
Reduced:	BrN2O2C40H49 (1)
Stoich.:	AB2C2D40E49 (1)
Weight, g/mol:	272.01681
ΔH_f, kcal/mol:	13.39
Dipole, Da:	4.79
IP(EA), eV:	-7.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(6-fluoropyridin-3-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C/C3=C(/C(=C\C4=[N+](C5=CC=CC=C5C4(C)C)CCCCCC=C)/C3=O)O)CCCCCC=C)C.[Br-]

DOS

IR

Vibrations