Geometry & MOs

Info

ID:	17860
PubChem CID:	523815
Reduced:	ClO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	226.076057
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	3.45
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 2-chlorobenzoate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations