Geometry & MOs

Info

ID:

180187

PubChem CID:

76593160

Reduced:

BrO3N4F6C36H39 (1)

Stoich.:

AB3C4D6E36F39 (1)

Weight, g/mol:

370.204513

ΔHf, kcal/mol:

-399.64

Dipole, Da:

6.51

IP(EA), eV:

 -9.18(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-ethylidene-11-methyl-1-[3-(3-methylphenyl)prop-2-enylideneamino]-6-azatricyclo[7.3.1.02,7]trideca-3,6,10-trien-5-one

Drug info:

PubChemData

Smile

CCC1CC(CC(N1C(=O)C2CCC(CC2)CC(=O)O)CC3=CC=CC=C3)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)Br

DOS

IR

Vibrations