Geometry & MOs

Info

ID:

180560

PubChem CID:

76654214

Reduced:

F3N7H24C26 (1)

Stoich.:

A3B7C24D26 (1)

Weight, g/mol:

547.189879

ΔHf, kcal/mol:

4.81

Dipole, Da:

6.4

IP(EA), eV:

 -8.11(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-chloro-4-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridin-3-yl]amino]-6-methylphenyl]methyl]phenol

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=NC(=N1)NN=CC3=NC=C(C=C3)NC4=CC=CC(=C4)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations