Geometry & MOs

Info

ID:	373468
PubChem CID:	131315729
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	3.19
IP(EA), eV:	-9.24(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-azaspiro[4.5]decan-1-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C=C(C(=C2)Br)CO

DOS

IR

Vibrations