Geometry & MOs

Info

ID:

185790

PubChem CID:

77347675

Reduced:

F3O3H25C27 (1)

Stoich.:

A3B3C25D27 (1)

Weight, g/mol:

540.335193

ΔHf, kcal/mol:

-196.47

Dipole, Da:

6.04

IP(EA), eV:

 -9.07(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl) N-[2-(4-methylphenyl)-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC=CCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4CCC(CO4)O)F)F)F

DOS

IR

Vibrations