Geometry & MOs

Info

ID:	413975
PubChem CID:	135086927
Reduced:	BrNOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	300.097329
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	2.94
IP(EA), eV:	-7.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\SC)/C1=CC=C(C=C1)Br

DOS

IR

Vibrations