Geometry & MOs

Info

ID:	2510
PubChem CID:	7795
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	1.79
IP(EA), eV:	-10.79(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCC(C)C

DOS

IR

Vibrations