Geometry & MOs

Info

ID:	216140
PubChem CID:	85085782
Reduced:	OSF3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	6.01
IP(EA), eV:	-9.41(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4a,7-trimethyl-5,6,7,8-tetrahydro-4H-cyclopenta[f][1]benzofuran-7a-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC=CC(=O)C(F)(F)F

DOS

IR

Vibrations