Geometry & MOs

Info

ID:	4590
PubChem CID:	11684
Reduced:	OC3H6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	116.08373
ΔH_f, kcal/mol:	-114.7
Dipole, Da:	4.91
IP(EA), eV:	-10.61(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)O

DOS

IR

Vibrations