Geometry & MOs

Info

ID:	288066
PubChem CID:	104310372
Reduced:	BrON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	55.06
Dipole, Da:	5.79
IP(EA), eV:	-9.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCCN1)C2=NC(=NO2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations