Geometry & MOs

Info

ID:

445900

PubChem CID:

135269894

Reduced:

O2F3N6H23C25 (1)

Stoich.:

A2B3C6D23E25 (1)

Weight, g/mol:

421.222623

ΔHf, kcal/mol:

-108.24

Dipole, Da:

2.19

IP(EA), eV:

 -9.72(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[N-[(Z)-2-amino-1-[5-(2-methyl-3,4-dihydropyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2-(methylideneamino)ethenyl]-C-methylcarbonimidoyl]phenyl]-(dimethylamino)methanol

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C(=N)OC(=N)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N4CCN[C@H](C4)C(F)(F)F

DOS

IR

Vibrations