Geometry & MOs

Info

ID:	412968
PubChem CID:	135085906
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	285.92704
ΔH_f, kcal/mol:	-55.62
Dipole, Da:	3.12
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-bromofuran-2-yl)-(2-chloropyridin-1-ium-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2CCCC=C2Br

DOS

IR

Vibrations