Geometry & MOs

Info

ID:	337899
PubChem CID:	127258522
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-176.53
Dipole, Da:	3.28
IP(EA), eV:	-10.42(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-3-hydroxybutyl) butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations