Geometry & MOs

Info

ID:	56956
PubChem CID:	22395049
Reduced:	O3C7H14 (1)
Stoich.:	A3B7C14 (1)
Weight, g/mol:	258.219495
ΔH_f, kcal/mol:	-145.22
Dipole, Da:	1.53
IP(EA), eV:	-9.91(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-octoxypropanoate

Drug info:

PubChemData

Smile

CC(C)COCC(=O)OC

DOS

IR

Vibrations