Geometry & MOs

Info

ID:	26070
PubChem CID:	637741
Reduced:	O2C9H12 (4)
Stoich.:	A2B9C12 (4)
Weight, g/mol:	240.151415
ΔH_f, kcal/mol:	-377.37
Dipole, Da:	4.38
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS,9aR)-9-tert-butyl-8a,9a-dihydrofluoren-9-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C2CCC3=C(C(=C(CCC(=C1C(=O)OC(C)(C)C)C=C2)C=C3)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations