Geometry & MOs

Info

ID:	13174
PubChem CID:	222413
Reduced:	ClO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	310.169958
ΔH_f, kcal/mol:	-125.1
Dipole, Da:	2.35
IP(EA), eV:	-9.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethylnonan-2-yl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCC(CC)CCC(C)OC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations