Geometry & MOs

Info

ID:	288093
PubChem CID:	104310841
Reduced:	BrON6H9C11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	115.62
Dipole, Da:	4.92
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NOC(=N2)CN3C=C(C=N3)N)Br

DOS

IR

Vibrations