Geometry & MOs

Info

ID:	291936
PubChem CID:	113863002
Reduced:	BrN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-109.44
Dipole, Da:	2.07
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyridin-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

Drug info:

PubChemData

Smile

C1C(C(CN1CC(=O)NC2=CC(=CC=C2)Br)O)O

DOS

IR

Vibrations