Geometry & MOs

Info

ID:	401844
PubChem CID:	135052907
Reduced:	TlF6O6H7C12 (1)
Stoich.:	AB6C6D7E12 (1)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-486.82
Dipole, Da:	10.31
IP(EA), eV:	-10.91(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(2-hydroxyphenyl)-4-methylpent-2-yn-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[Tl](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(=O)O

DOS

IR

Vibrations