Geometry & MOs

Info

ID:	180568
PubChem CID:	76654222
Reduced:	FO2N9C24H28 (1)
Stoich.:	AB2C9D24E28 (1)
Weight, g/mol:	477.240085
ΔH_f, kcal/mol:	22.12
Dipole, Da:	3.09
IP(EA), eV:	-8.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[[5-[3-(4-methylpyrazolidin-1-yl)anilino]pyridin-2-yl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1CCNN1C2=CC(=CC(=C2)NC3=CN=C(C=C3)C=NNC4=NC=C(C(=N4)N5CCOCC5)F)O

DOS

IR

Vibrations