Geometry & MOs

Info

ID:	288170
PubChem CID:	104312454
Reduced:	FBr2N2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	9.75
Dipole, Da:	3.02
IP(EA), eV:	-9.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C2=NC=C(C=C2)Br)N)Br)F

DOS

IR

Vibrations