Geometry & MOs

Info

ID:	5496
PubChem CID:	13234
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	4.85
IP(EA), eV:	-9.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-phenylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations