Geometry & MOs

Info

ID:	337850
PubChem CID:	127258473
Reduced:	O3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-279.05
Dipole, Da:	2.93
IP(EA), eV:	-9.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-methoxyprop-2-enyl] butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)C(C(C)CC(=O)O)OCC)C(=O)O

DOS

IR

Vibrations