Geometry & MOs

Info

ID:	187853
PubChem CID:	77635493
Reduced:	NO2F3C27H34 (1)
Stoich.:	AB2C3D27E34 (1)
Weight, g/mol:	398.293328
ΔH_f, kcal/mol:	-253.05
Dipole, Da:	2.88
IP(EA), eV:	-9.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-6,9a,11a-trimethyl-5-(1-methylpiperidin-4-ylidene)-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)CC5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations