Geometry & MOs

Info

ID:	399520
PubChem CID:	135040703
Reduced:	BrFH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	2.78
IP(EA), eV:	-9.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-3,3,7a-trimethyl-3a,4-dihydro-1H-indene-2,5-dione

Drug info:

PubChemData

Smile

CC(C=C(Br)Br)C1=C(C=CC=C1F)F

DOS

IR

Vibrations