Geometry & MOs

Info

ID:	340310
PubChem CID:	127262321
Reduced:	ClO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	2.46
IP(EA), eV:	-9.53(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexan-2-yl cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations