Geometry & MOs

Info

ID:	215968
PubChem CID:	85085519
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	23.64
Dipole, Da:	3.81
IP(EA), eV:	-10.51(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a-hydroxy-2,3,4,4a,5,6,7,8-octahydro-1H-fluoren-9-one

Drug info:

PubChemData

Smile

CCCCCC1=NC2C(=NC=N2)C(=O)N1

DOS

IR

Vibrations