Geometry & MOs

Info

ID:	395355
PubChem CID:	135025259
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	23.77
Dipole, Da:	3.03
IP(EA), eV:	-8.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-ol

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H](C2=C(O1)C=CC(=C2)OC)C#CC3=CC=CC=C3)C=C

DOS

IR

Vibrations