Geometry & MOs

Info

ID:	337973
PubChem CID:	127258596
Reduced:	ClO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	298.097187
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	5.01
IP(EA), eV:	-11.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-2-[(3-methylphenyl)methoxy]-3-oxopropyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CC)C(=O)Cl

DOS

IR

Vibrations