Geometry & MOs

Info

ID:	5838
PubChem CID:	13890
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	5.05
IP(EA), eV:	-9.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations