Geometry & MOs

Info

ID:	8515
PubChem CID:	78807
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-134.36
Dipole, Da:	1.77
IP(EA), eV:	-10.52(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-ethylbutanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CC)CC

DOS

IR

Vibrations