Geometry & MOs

Info

ID:	2513
PubChem CID:	7798
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	4.92
IP(EA), eV:	-10.65(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)CCC

DOS

IR

Vibrations