Geometry & MOs

Info

ID:	340385
PubChem CID:	127262396
Reduced:	ClN2O3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	6.31
IP(EA), eV:	-10.18(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethylhexyl cyclohexanecarboxylate

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)NC(=O)NCCCl)C(=O)O

DOS

IR

Vibrations