Geometry & MOs

Info

ID:	199801
PubChem CID:	79297915
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	284.235145
ΔH_f, kcal/mol:	-184.27
Dipole, Da:	2.92
IP(EA), eV:	-8.79(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]butanoate

Drug info:

PubChemData

Smile

CCC(C(C)C1=CC=C(C=C1)OCC)(C(=O)OCC)O

DOS

IR

Vibrations