Geometry & MOs

Info

ID:	337831
PubChem CID:	127258454
Reduced:	ClO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	1.86
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-2-enoxy]ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(O)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations