Geometry & MOs

Info

ID:	288087
PubChem CID:	104310691
Reduced:	BrOSN4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	78.33
Dipole, Da:	4.77
IP(EA), eV:	-8.6(-1.05)
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]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)N)C2=NC(=NO2)C3=C(C=CC=N3)Br

DOS

IR

Vibrations