Geometry & MOs

Info

ID:	384746
PubChem CID:	134977605
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	4.87
IP(EA), eV:	-9.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3aS,6aR)-1-(furan-2-carbonyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C[C@H]2CCC[C@H]2[C@@H]1C(=O)C3=CC=CC=C3

DOS

IR

Vibrations