Geometry & MOs

Info

ID:	310853
PubChem CID:	126588203
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	212.123486
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	4.23
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-(3-methylbutyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophen-5-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(C)C(=O)CC)CC)C

DOS

IR

Vibrations