Geometry & MOs

Info

ID:	22238
PubChem CID:	596359
Reduced:	ClO2F3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	384.110392
ΔH_f, kcal/mol:	-236.38
Dipole, Da:	4.82
IP(EA), eV:	-10.15(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(C(=O)C4=CC=C(C=C4)Cl)C(=O)C(F)(F)F

DOS

IR

Vibrations