Geometry & MOs

Info

ID:	411890
PubChem CID:	135084742
Reduced:	Rh2O7C33H45 (1)
Stoich.:	A2B7C33D45 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-354.38
Dipole, Da:	26.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.836496
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,2-dimethyl-3-oxobutyl)phenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)[CH2-].CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O.[Rh].[Rh]

DOS

IR

Vibrations