Geometry & MOs

Info

ID:	23010
PubChem CID:	600874
Reduced:	ClO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	346.097187
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	3.92
IP(EA), eV:	-9.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 4-butoxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations