Geometry & MOs

Info

ID:	147127
PubChem CID:	53786780
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	246.107836
ΔH_f, kcal/mol:	28.5
Dipole, Da:	2.0
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-thiophen-2-ylcyclopentyl]hex-2-yn-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N

DOS

IR

Vibrations