Geometry & MOs

Info

ID:	4124
PubChem CID:	10801
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	-200.02
Dipole, Da:	4.58
IP(EA), eV:	-11.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylpropanedioic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)C(=O)O

DOS

IR

Vibrations