Geometry & MOs

Info

ID:

123697

PubChem CID:

50859410

Reduced:

BrFO3N4C25H26 (1)

Stoich.:

ABC3D4E25F26 (1)

Weight, g/mol:

427.217224

ΔHf, kcal/mol:

-127.25

Dipole, Da:

10.72

IP(EA), eV:

 -8.28(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-2-amino-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N(C(=O)N3)CC(=O)NC4=CC=C(C=C4)Br)C)(C)C

DOS

IR

Vibrations