Geometry & MOs

Info

ID:	288388
PubChem CID:	104316065
Reduced:	BrON4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	45.97
Dipole, Da:	4.07
IP(EA), eV:	-9.8(-1.24)
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]-N-methylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CCC(C1=NC(=NO1)C2=NC=C(C=C2)Br)C(C)N

DOS

IR

Vibrations