Geometry & MOs

Info

ID:	339230
PubChem CID:	127260609
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	260.214016
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	1.91
IP(EA), eV:	-9.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-(2-tert-butylphenyl)-2-ethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)OC2=CC=CC=N2)O

DOS

IR

Vibrations