Geometry & MOs

Info

ID:	288249
PubChem CID:	104314383
Reduced:	BrN2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	389.97654
ΔH_f, kcal/mol:	87.53
Dipole, Da:	1.35
IP(EA), eV:	-9.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dibromopyridin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)C(C2=CN=CN=C2)N)Br

DOS

IR

Vibrations