Geometry & MOs

Info

ID:	392536
PubChem CID:	135017115
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	238.139137
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	3.8
IP(EA), eV:	-9.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol

Drug info:

PubChemData

Smile

C[C@]1(CC(=CC(=O)C1)C(C)(C)O)C2=CC=CC=C2

DOS

IR

Vibrations