Geometry & MOs

Info

ID:	21045
PubChem CID:	586990
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	240.091708
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	1.93
IP(EA), eV:	-9.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations