Geometry & MOs

Info

ID:

190896

PubChem CID:

78072319

Reduced:

N2O2F3H23C25 (1)

Stoich.:

A2B2C3D23E25 (1)

Weight, g/mol:

509.186318

ΔHf, kcal/mol:

-168.96

Dipole, Da:

6.16

IP(EA), eV:

 -8.78(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-2-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]methyl]-3H-pyridin-6-one

Drug info:

PubChemData

Smile

CN1CCC23CC4=C(CC2(C1CC5=C3C=C(C=C5)O)O)C=C6C=C(C=CC6=N4)C(F)(F)F

DOS

IR

Vibrations