Geometry & MOs

Info

ID:	386324
PubChem CID:	134981409
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	2.44
IP(EA), eV:	-9.99(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aR,6aS)-1-phenyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

CCCCC/C=C/[C@H]1[C@@H](O1)CO

DOS

IR

Vibrations