Geometry & MOs

Info

ID:	233554
PubChem CID:	91145441
Reduced:	ClNO5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-201.6
Dipole, Da:	6.7
IP(EA), eV:	-9.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethyl-2-methylidenecyclohexyl)oxyethanol

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)O)OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations