Geometry & MOs

Info

ID:	337998
PubChem CID:	127258621
Reduced:	O3C8H16 (2)
Stoich.:	A3B8C16 (2)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-198.37
Dipole, Da:	2.04
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-3,3-dimethylhexyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCC(C)(OOC(C)(C)C)OOC(C)(C)C

DOS

IR

Vibrations