Geometry & MOs

Info

ID:	13172
PubChem CID:	222395
Reduced:	ClO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	254.107358
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	2.22
IP(EA), eV:	-9.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-3-yl 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations