Geometry & MOs

Info

ID:

312714

PubChem CID:

126607559

Reduced:

F3N7C26H30 (1)

Stoich.:

A3B7C26D30 (1)

Weight, g/mol:

443.248524

ΔHf, kcal/mol:

-42.69

Dipole, Da:

3.98

IP(EA), eV:

 -8.34(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-N-[(E)-2-[2-[(dimethylamino)methyl]phenyl]ethenyl]-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylpenta-2,4-dienimidamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=C2C3=NN4C=C(N=C4C=C3)NC)C5CCN(CC5)CCC(F)(F)F)C

DOS

IR

Vibrations