Geometry & MOs

Info

ID:	8822
PubChem CID:	81917
Reduced:	O3C7H14 (1)
Stoich.:	A3B7C14 (1)
Weight, g/mol:	146.094294
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	4.05
IP(EA), eV:	-10.13(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxypropanoic acid

Drug info:

PubChemData

Smile

CCCCOCCC(=O)O

DOS

IR

Vibrations