Geometry & MOs

Info

ID:	266999
PubChem CID:	103580350
Reduced:	BrClSN2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	331.99272
ΔH_f, kcal/mol:	14.63
Dipole, Da:	3.55
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5-bromo-3-chloropyridin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CC(SC1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations