Geometry & MOs

Info

ID:	288108
PubChem CID:	104311424
Reduced:	BrNO2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	250.95819
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	5.17
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-2-yl)-(furan-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C2=NC=C(C=C2)Br

DOS

IR

Vibrations