Geometry & MOs

Info

ID:	83507
PubChem CID:	49857676
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	2.28
IP(EA), eV:	-8.46(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(3R)-3-(6-methoxy-1-benzofuran-2-yl)butyl]-1,3,3-trimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@H](CC[C@@H]1[C@@](CCCC1(C)C)(C)O)C2=CC3=C(O2)C=CC(=C3)OC

DOS

IR

Vibrations