Geometry & MOs

Info

ID:	389974
PubChem CID:	134996317
Reduced:	F3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	169.97311
ΔH_f, kcal/mol:	-281.32
Dipole, Da:	3.07
IP(EA), eV:	-9.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-bromobicyclo[2.2.1]hepta-2,5-diene

Drug info:

PubChemData

Smile

CC(C)(C)OC(CC(=O)/C=C/C=C)OCC(F)(F)F

DOS

IR

Vibrations