Geometry & MOs

Info

ID:

180564

PubChem CID:

76654218

Reduced:

ON4C15H17 (2)

Stoich.:

AB4C15D17 (2)

Weight, g/mol:

541.260151

ΔHf, kcal/mol:

62.57

Dipole, Da:

4.13

IP(EA), eV:

 -8.24(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[6-[[[5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methylpyridin-3-yl]amino]phenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NN=CC2=NC=C(C=C2)NC3=CC=C(C=C3)C4=CC(=CC=C4)O)NCCCN5CCOCC5

DOS

IR

Vibrations