Geometry & MOs

Info

ID:	187856
PubChem CID:	77635496
Reduced:	NO3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	409.241707
ΔH_f, kcal/mol:	-161.6
Dipole, Da:	2.83
IP(EA), eV:	-9.32(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)methylidene]-1-hydroxy-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CC(C4C3(C=CC(=O)N4C)C)CCO

DOS

IR

Vibrations