Geometry & MOs

Info

ID:	180569
PubChem CID:	76654223
Reduced:	FON9C24H28 (1)
Stoich.:	ABC9D24E28 (1)
Weight, g/mol:	481.163806
ΔH_f, kcal/mol:	77.49
Dipole, Da:	4.69
IP(EA), eV:	-8.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethylpyridin-3-yl)-5-fluoro-N-[[5-[3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1CNN(C1)C2=CC=CC(=C2)NC3=CN=C(C=C3)C=NNC4=NC=C(C(=N4)N5CCOCC5)F

DOS

IR

Vibrations