Geometry & MOs

Info

ID:	288077
PubChem CID:	104310459
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	52.61
Dipole, Da:	4.88
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCNCC1)C2=NC(=NO2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations