Geometry & MOs

Info

ID:	385110
PubChem CID:	134978338
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-132.37
Dipole, Da:	1.69
IP(EA), eV:	-9.01(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[C@@H](CC(C)C)OC(=O)C(C)C)C

DOS

IR

Vibrations