Geometry & MOs

Info

ID:	288391
PubChem CID:	104316131
Reduced:	BrOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	60.45
Dipole, Da:	4.7
IP(EA), eV:	-8.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1CSCC1C2=NC(=NO2)C3=C(C=CC=N3)Br

DOS

IR

Vibrations