Geometry & MOs

Info

ID:	21177
PubChem CID:	587466
Reduced:	ClO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	338.201258
ΔH_f, kcal/mol:	-132.08
Dipole, Da:	1.93
IP(EA), eV:	-9.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridecyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations