Geometry & MOs

Info

ID:

425919

PubChem CID:

135131616

Reduced:

FON4H27C31 (1)

Stoich.:

ABC4D27E31 (1)

Weight, g/mol:

482.211804

ΔHf, kcal/mol:

62.46

Dipole, Da:

6.68

IP(EA), eV:

 -9.24(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aR,7R,10aS)-4-cyclopentyloxy-2-(8-fluoroquinolin-4-yl)-7,10a-dimethyl-8-oxo-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile

Drug info:

PubChemData

Smile

C[C@@]12CC3=C(C([C@H]1CCC4=C(N=C(N=C24)C5=C6C=CC=NC6=CC=C5)C7=CC=CC=C7F)(C)C)ON=C3

DOS

IR

Vibrations