Geometry & MOs

Info

ID:	17442
PubChem CID:	498984
Reduced:	TlO6C30H31 (1)
Stoich.:	AB6C30D31 (1)
Weight, g/mol:	692.18649
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	1.76
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-phenylbut-3-en-2-one;lambda1-thallane

Drug info:

PubChemData

Smile

CC(=O)C=C(C1=CC=CC=C1)O.CC(=O)C=C(C1=CC=CC=C1)O.CC(=O)C=C(C1=CC=CC=C1)O.[TlH]

DOS

IR

Vibrations