Geometry & MOs

Info

ID:	337821
PubChem CID:	127258444
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-147.08
Dipole, Da:	2.08
IP(EA), eV:	-10.32(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-3-methylpentan-2-yl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)(C)C(CC)CC

DOS

IR

Vibrations