Geometry & MOs

Info

ID:	28192
PubChem CID:	826153
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	5.13
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-1-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-ol

Drug info:

PubChemData

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CC[C@H]1C[C@@](OC1=O)(C)C2=CSC(=N2)NC3=CC=CC=C3

DOS

IR

Vibrations