Geometry & MOs

Info

ID:	402258
PubChem CID:	135055232
Reduced:	NOF3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	246.107836
ΔH_f, kcal/mol:	-178.25
Dipole, Da:	4.98
IP(EA), eV:	-9.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bS,6aR,7aR)-6a-thiophen-2-yl-2,3,3a,3b,4,5,6,7a-octahydro-1H-cyclopenta[a]pentalen-7-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C=C)N(CCC1=CC=CC=C1)C(=O)C(F)(F)F

DOS

IR

Vibrations