Geometry & MOs

Info

ID:	204044
PubChem CID:	79904712
Reduced:	SO3C14H24 (1)
Stoich.:	AB3C14D24 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-171.12
Dipole, Da:	2.26
IP(EA), eV:	-8.88(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanamine

Drug info:

PubChemData

Smile

CC(CC(=O)OC)SC1CCOC2(C1)CCCC2

DOS

IR

Vibrations