Geometry & MOs

Info

ID:	337984
PubChem CID:	127258607
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-138.83
Dipole, Da:	3.19
IP(EA), eV:	-8.87(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxybutyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C(CC)OC1=CC=CC=C1

DOS

IR

Vibrations