Geometry & MOs

Info

ID:	288125
PubChem CID:	104311778
Reduced:	OBr2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	309.03644
ΔH_f, kcal/mol:	27.37
Dipole, Da:	3.36
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CC(=O)C2=C(C=CC=N2)Br)C

DOS

IR

Vibrations