Geometry & MOs

Info

ID:	13170
PubChem CID:	222389
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	2.6
IP(EA), eV:	-9.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations