Geometry & MOs

Info

ID:	220845
PubChem CID:	85240166
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	278.112979
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	4.3
IP(EA), eV:	-9.05(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-hydroxy-8a-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC(C)OC1(CCC(=CCCC(=CC1)C)C)C#N

DOS

IR

Vibrations