Geometry & MOs

Info

ID:	399513
PubChem CID:	135040640
Reduced:	BClF3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-260.14
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816681
Charge, e:	0

Chem-info

IUPAC name:

(4S,8S,10R)-tricyclo[6.2.1.04,10]undec-5-en-11-one

Drug info:

PubChemData

Smile

[B-](/C=C(/CCCCC)\Cl)(F)(F)F

DOS

IR

Vibrations