Geometry & MOs

Info

ID:	248655
PubChem CID:	103083332
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	24.74
Dipole, Da:	5.11
IP(EA), eV:	-9.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C1=NC(=NO1)C2=C(C=C(C=C2)Br)C)N

DOS

IR

Vibrations