Geometry & MOs

Info

ID:	186303
PubChem CID:	77416437
Reduced:	SO6C23H40 (1)
Stoich.:	AB6C23D40 (1)
Weight, g/mol:	278.22458
ΔH_f, kcal/mol:	-304.84
Dipole, Da:	8.07
IP(EA), eV:	-9.23(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a-(2-methylpentan-3-yl)-2,3,5,6,6a,7,8,9-octahydro-1H-cyclopenta[f]chromen-7-ol

Drug info:

PubChemData

Smile

CCCCCCC=CC1C(CCC1CS(=O)(=O)C)CC=CCC(C)C(C(=O)O)(O)O

DOS

IR

Vibrations