Geometry & MOs

Info

ID:	21178
PubChem CID:	587469
Reduced:	ClO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	268.123008
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	3.5
IP(EA), eV:	-9.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 2-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations