Geometry & MOs

Info

ID:

185689

PubChem CID:

77333254

Reduced:

N2F3O3C34H38 (1)

Stoich.:

A2B3C3D34E38 (1)

Weight, g/mol:

345.230394

ΔHf, kcal/mol:

-146.3

Dipole, Da:

2.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.881136

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclopropyloxy-4-hydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC(C)C[N+]1(CCC23C4C1CC5=C(C=CC(=C52)OC3C(CC4)NC(=O)C#CC6=CC=C(C=C6)C(F)(F)F)O)CC7CC7

DOS

IR

Vibrations