Geometry & MOs

Info

ID:	288115
PubChem CID:	104311715
Reduced:	BrNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	43.93
Dipole, Da:	4.17
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)C3=C(C=CC=N3)Br

DOS

IR

Vibrations