Geometry & MOs

Info

ID:	180558
PubChem CID:	76653943
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	543.179456
ΔH_f, kcal/mol:	24.78
Dipole, Da:	3.7
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C)C)C(=C(C)C(=O)N=[N+]=[N-])C

DOS

IR

Vibrations