Geometry & MOs

Info

ID:	337996
PubChem CID:	127258619
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	2.5
IP(EA), eV:	-9.81(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylpentyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)C(=C)C

DOS

IR

Vibrations