Geometry & MOs

Info

ID:	404447
PubChem CID:	135066306
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	330.08061
ΔH_f, kcal/mol:	-139.87
Dipole, Da:	5.42
IP(EA), eV:	-9.57(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-bromo-1,1,1-trifluorotridecan-5-one

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=O)[C@](CC1)(C)CCC=O

DOS

IR

Vibrations