Geometry & MOs

Info

ID:	288067
PubChem CID:	104310373
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	349.98369
ΔH_f, kcal/mol:	44.95
Dipole, Da:	4.6
IP(EA), eV:	-9.62(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

Drug info:

PubChemData

Smile

CC1(CCCCC1N)C2=NC(=NO2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations