Geometry & MOs

Info

ID:	396604
PubChem CID:	135028829
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	452.00963
ΔH_f, kcal/mol:	-117.98
Dipole, Da:	4.22
IP(EA), eV:	-9.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-hydroxy-3,4,6-trimethylphenyl)-phenyl-lambda3-iodanyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCN1C(C2=CC=CC=C2C1=O)C3=C(CC(CC3=O)(C)C)O

DOS

IR

Vibrations