Geometry & MOs

Info

ID:	18654
PubChem CID:	545312
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	1.89
IP(EA), eV:	-10.32(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-ethylhexanoate

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)OC(C)(C)C

DOS

IR

Vibrations