Geometry & MOs

Info

ID:	159721
PubChem CID:	57288666
Reduced:	FC25H37 (1)
Stoich.:	AB25C37 (1)
Weight, g/mol:	353.175771
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	1.9
IP(EA), eV:	-9.11(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bS,9aR,9bR,11aS)-9-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-8-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(CC2CCC=CC2)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations