Geometry & MOs

Info

ID:	48899
PubChem CID:	11528451
Reduced:	OF2H6C10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	1.25
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6R,7aR)-4,6,7a-trimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations