Geometry & MOs

Info

ID:	9557
PubChem CID:	90909
Reduced:	ClO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	314.128487
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	3.68
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CCCCOCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C

DOS

IR

Vibrations